SCHEMBL6274087

SCHEMBL6274087

CSSc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP2A6 P11509 4/20 0.44
IFNAR1 P17181 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPRT1 P00492 1/20 0.39
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30550559 0.85 ALDH1A1 (0.50) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL253961 0.85 ALDH1A1 (0.50) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL31323067 0.81 ALDH1A1 (0.48) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL385875 0.81 ALDH1A1 (0.48) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL31038169 0.81 ALDH1A1 (0.48) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL6274431 0.77 CYP1A2 (0.44) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL3485472 0.77 ALDH1A1 (0.44) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL11691751 0.76 HSD17B10 (0.52) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL31167972 0.75 IFNAR1 (0.60) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL577858 0.75 IFNAR1 (0.60) ALDH1A1CYP2A6IFNAR1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266916-B1 MULTIBLOCK COPOLYMER AND THE PREPARING METHOD THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2005-12-14 EP claimed