SCHEMBL11580458

SCHEMBL11580458

C#CCCCCC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL31415600 0.98 USP2 (0.42) USP2CYP3A4SMN1; SMN2MAPTMEN1
SCHEMBL4905767 0.93
SCHEMBL8179631 0.84 LMNA (0.39) USP2CYP3A4SMN1; SMN2MAPTMEN1
SCHEMBL4897858 0.82
SCHEMBL1454841 0.79 USP2 (0.38) USP2CYP3A4SMN1; SMN2MAPTMEN1
SCHEMBL1805229 0.79 LMNA (0.50) LMNA
SCHEMBL22251656 0.78 USP2 (0.61) USP2CYP3A4SMN1; SMN2MAPTMEN1
SCHEMBL27438860 0.77 USP2 (0.37) USP2CYP3A4SMN1; SMN2MAPTMEN1
SCHEMBL6709752 0.77 ACE2 (0.47) USP2CYP3A4SMN1; SMN2LMNA
SCHEMBL1313662 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114160168-B Sulfuration method of gasoline selective hydrogenation catalyst 中国石油化工股份有限公司 2023-09-01 CN disclosed
CN-116037162-A Preparation method of sulfided hydrogenation catalyst 中国石油化工股份有限公司 2023-05-02 CN disclosed
CN-114160168-A Sulfurizing method of gasoline selective hydrogenation catalyst 中国石油化工股份有限公司 2022-03-11 CN disclosed
CN-107074757-B The manufacturing method of trifluoromethyl alkylthio chemical combination object 组合化学工业株式会社 2019-05-03 CN disclosed
CN-107074757-A The manufacture method of trifluoromethyl alkylthio compound 组合化学工业株式会社 2017-08-18 CN disclosed
US-4094896-A HYPOTENSIVE AGENTS, BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1978-06-13 US disclosed
US-4054604-A MICROBIOCIDES, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1977-10-18 US disclosed
US-4044043-A HYPERTENSIVE AGENTS, MICROBIOCIDES AMERICAN CYANAMID COMPANY (US) 1977-08-23 US disclosed
US-4006179-A HYPOTENSIVE AGENTS, MICROBIOCIDES AMERICAN CYANAMID COMPANY (US) 1977-02-01 US disclosed
US-3981868-A MICROBIOCIDES, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed