SCHEMBL755515

SCHEMBL755515

CCc1cccc(C)c1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
ATP4A P20648 3/20 0.42
ATP4B P51164 3/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ELANE P08246 1/20 0.37
NLRP3 Q96P20 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29351040 1.00 CD44 (0.52) CD44GABRA1GABRB2ATP4AATP4B
Hydrochloric Acid SCHEMBL7642490 0.98 CD44 (0.50) CD44GABRA1GABRB2ATP4AATP4B
SCHEMBL11171247 0.93 CD44 (0.50) CD44GABRA1GABRB2ATP4AATP4B
Aniline SCHEMBL22169190 0.90 CD44 (0.43) CD44GABRA1GABRB2ATP4AATP4B
Anthraquinone SCHEMBL27354386 0.87 SMN1; SMN2 (0.54) CD44ALDH1A1MAPTHTTCYP3A4
SCHEMBL8443520 0.85 PTGS2 (0.43) CD44ALDH1A1MAPTHTTPTGS2
SCHEMBL262868 0.85 GABRA1 (0.55) CD44GABRA1GABRB2ATP4AATP4B
SCHEMBL1332031 0.85 GABRA1 (0.55) CD44GABRA1GABRB2ATP4AATP4B
SCHEMBL2247538 0.83 CD44 (0.54) CD44GABRA1GABRB2ATP4AATP4B
SCHEMBL831889 0.82 CD44 (0.41) CD44GABRA1GABRB2ATP4AATP4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1600 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784909-B Method for synthesizing 2-ethyl-N- (2-methoxy-1-methylethyl) -6-methylaniline 浙江工业大学 2025-05-27 CN claimed
CN-119242541-B Paenibacillus WH-2 and application thereof 山东省海洋资源与环境研究院(山东省海洋环境监测中心、山东省水产品质量检验中心) 2025-05-16 CN claimed
CN-119242540-B Pseudomonas WH-3 and application thereof 山东省海洋资源与环境研究院(山东省海洋环境监测中心、山东省水产品质量检验中心) 2025-05-16 CN claimed
CN-119798252-A Method for preparing N-ortho-acyl substituted nitrogen-containing heterocyclic compound and amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2025-04-11 CN claimed
CN-119242541-A Paenibacillus WH-2 and application thereof 山东省海洋资源与环境研究院(山东省海洋环境监测中心、山东省水产品质量检验中心) 2025-01-03 CN claimed
CN-119242540-A Pseudomonas WH-3 and application thereof 山东省海洋资源与环境研究院(山东省海洋环境监测中心、山东省水产品质量检验中心) 2025-01-03 CN claimed
CN-119191997-A Preparation method of 2-ethyl-6-methylaniline compound 浙江工业大学 2024-12-27 CN claimed
CN-119161360-A Tricyclic heterocyclic derivative and preparation method and application thereof 浙江省人民医院 2024-12-20 CN claimed
CN-119143751-A N-ortho-acyl substituted nitrogen-containing heterocyclic compound and preparation method of amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2024-12-17 CN claimed
CN-119143750-A Preparation method of N-ortho-alkyl substituted 1, 10-phenanthroline compound and catalyst prepared by same 中国石油化工股份有限公司 2024-12-17 CN claimed
EP-0736519-A1 Fractionation and purification of mixtures of aromatic polyamines and their use BAYER AG (DE) 1996-10-09 EP claimed
EP-0726253-A1 Process for the preparation of N-(ortho-alkyl-phenyl)-imides BAYER AG (DE) 1996-08-14 EP claimed
EP-0190101-B1 PROCESS FOR THE PREPARATION OF N-ALKYL-ANILINES CIBA-GEIGY AG (CH) 1992-07-22 EP claimed
EP-0216213-B1 DISCOLORATION INHIBITOR FOR AROMATIC AMINES ETHYL CORPORATION (US) 1991-08-07 EP claimed
US-4921980-A REACTION OF AN ANILINE COMPOUND WITH AN ALCOHOL, SILICA GEL SUPPORTED PLATINUM CATALYST CIBA-GEIGY CORPORATION (US) 1990-05-01 US claimed
US-4861914-A 2,6-DI-TERT-BUTYL-P-CRESOL ETHYL CORPORATION (US) 1989-08-29 US claimed
CN-86108684-A The preparation method of three grades of 2-chloro-monoacetylaniline missible oil 1987-07-29 CN claimed
EP-0216213-A2 Discoloration inhibitor for aromatic amines ETHYL CORPORATION (US) 1987-04-01 EP claimed
EP-0190101-A2 Process for the preparation of N-alkyl-anilines CIBA-GEIGY AG (CH) 1986-08-06 EP claimed
US-4490273-A CURABLE POLYEPOXIDES CELANESE CORPORATION (US) 1984-12-25 US claimed