SCHEMBL5608737

SCHEMBL5608737

c1ccc2c(-c3c(P(C4CCCCC4)C4CCCCC4)ccc4ccccc34)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.38
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MPI P34949 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9350829 0.98 DNMT1 (0.39) DNMT1GABRA1GABRG2GABRB3SLC6A3
SCHEMBL160594 0.89 ALDH1A1 (0.37) DNMT1ALDH1A1MAPTMEN1RAB9A
SCHEMBL30391805 0.89 ALDH1A1 (0.37) DNMT1ALDH1A1MAPTMEN1RAB9A
SCHEMBL164194 0.88 ALDH1A1 (0.38) DNMT1ALDH1A1MAPTMPICYP1A2
SCHEMBL31566355 0.88 ALDH1A1 (0.38) DNMT1ALDH1A1MAPTMPICYP1A2
SCHEMBL8611152 0.87 ALDH1A1 (0.39) DNMT1ALDH1A1MAPTMEN1RAB9A
SCHEMBL6533213 0.83 HTR1A (0.35) DNMT1GABRA1GABRG2GABRB3SLC6A3
SCHEMBL5608644 0.83 HTR7 (0.37) SLC6A3ALDH1A1MAPTMEN1RAB9A
SCHEMBL16811762 0.81 CYP1A2 (0.39) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7544297 0.80 ALDH1A1 (0.35) DNMT1ALDH1A1MAPTMPICYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996701-A Method for treating keratin fibres using a high concentration of a specific amino acid 莱雅公司 2023-04-21 CN disclosed
CN-113474383-A Radically polymerizable composition 波林复合材料美国股份有限公司 2021-10-01 CN disclosed
EP-2611819-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Takasago International Corporation (JP) 2013-07-10 EP disclosed
WO-2012029970-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-08 WO disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
CN-1745049-A Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2006-03-08 CN disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-0855390-B1 A process for producing optically active pyrrolidine derivatives TAKASAGO PERFUMERY CO LTD (JP) 2001-10-04 EP disclosed