SCHEMBL347592

SCHEMBL347592

CCc1ccc2cc(CC)ccc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.80
CYP1A2 P05177 1/20 0.80
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
TRPA1 O75762 1/20 0.52
DAO P14920 1/20 0.44
BDKRB2 P30411 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL29407167 1.00 CYP2A6 (0.80) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL6890734 0.94 CYP2A6 (0.73) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL6885287 0.94 CYP2A6 (0.73) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL29475635 0.91 CYP2A6 (0.76) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL1878783 0.91 CYP2A6 (0.76) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL31534025 0.89 CYP2A6 (1.00) CYP2A6CYP1A2AKR1C3AKR1C2NPC1
SCHEMBL73386 0.89 CYP2A6 (1.00) CYP2A6CYP1A2AKR1C3AKR1C2NPC1
SCHEMBL6892841 0.87 CYP1A2 (0.86) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL599076 0.87 CYP1A2 (0.64) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
Ammonia Solution, Strong SCHEMBL7978193 0.87 CYP2A6 (0.95) CYP2A6CYP1A2AKR1C3AKR1C2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139627-B2 Perovskite ink formulations EXCYTON LIMITED (GB) 2024-11-12 US claimed
CN-115591588-B Method for recovering liquid phase oxidation catalyst 中国石油化工股份有限公司 2024-03-26 CN claimed
CN-115591588-A Method for recovering liquid phase oxidation catalyst 中国石油化工股份有限公司(CN) 2023-01-13 CN claimed
CN-115127880-A Degreasing fluid for macroscopic visualization treatment of surgical pathological examination material and preparation method thereof 中国人民解放军海军军医大学第三附属医院 2022-09-30 CN claimed
CN-112661587-A Process for preparing 2, 6-dialkylnaphthalene 中国石油化工股份有限公司 2021-04-16 CN claimed
US-9293711-B2 Organic semiconductor formulations POLYERA CORPORATION (US) 2016-03-22 US claimed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US claimed
EP-0361840-B1 Method for making 2,6-naphthalene-dicarboxylic acid AMOCO CORP (US) 1995-04-26 EP claimed
US-5321182-A From naphthalene and polyethylbenzenes in the presence of an acid catalyst NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-06-14 US claimed
US-5300721-A Adsorbing the isomers by a zeolite NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-04-05 US claimed
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US claimed
EP-0349189-B1 SELECTIVE PRODUCTION OF 2,6-DIETHYL-NAPHTHALENE AMOCO CORPORATION (US) 1993-09-15 EP claimed
EP-0496831-A4 SELECTIVE DIETHYLATION OF NAPHTHALENE TO 2,6-DIETHYLNAPHTHALENE 1992-10-07 EP claimed
EP-0496831-A1 SELECTIVE DIETHYLATION OF NAPHTHALENE TO 2,6-DIETHYLNAPHTHALENE CATALYTICA INC. (US) 1992-08-05 EP claimed
EP-0494315-A1 PROCESS FOR PRODUCING 2-ALKYL-6-ETHYL-NAPHTHALENE NIPPON STEEL CHEMICAL CO., LTD. (JP) 1992-07-15 EP claimed
WO-1991005751-A1 SELECTIVE DIETHYLATION OF NAPHTHALENE TO 2,6-DIETHYLNAPHTHALENE CATALYTICA, INC. (US) 1991-05-02 WO claimed
EP-0361840-A2 Method for making 2,6-naphthalene-dicarboxylic acid AMOCO CORPORATION (US) 1990-04-04 EP claimed
WO-1990000163-A1 SELECTIVE PRODUCTION OF 2,6-DIETHYLNAPHTHALENE AMOCO CORPORATION (US) 1990-01-11 WO claimed
EP-0349189-A1 Selective production of 2,6-diethyl-naphthalene AMOCO CORPORATION (US) 1990-01-03 EP claimed
US-4873386-A ETHYLATING AGENT, LEWIS ACID CATALYST AMOCO CORPORATION (US) 1989-10-10 US claimed