SCHEMBL8535874

SCHEMBL8535874

Cc1c([O])cccc1-c1cc(O)c(SCCc2ccccc2)c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
PTGS2 P35354 1/20 0.35
MAPT P10636 3/20 0.34
HTR2B P41595 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
HTR3A P46098 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 2/20 0.33
CASR P41180 2/20 0.33
CNR2 P34972 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
SHBG P04278 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 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
SCHEMBL8585298 0.83 ESR1 (0.43) ATMMAPTGPR84KDM4EMAOB
SCHEMBL7371787 0.81 MAPK1 (0.37) ATMPTGS2MAPTHTR2BGPR84
SCHEMBL6965244 0.80 ALOX5 (0.38) PTGS2MAPTGPR84KDM4E
SCHEMBL6960622 0.80 SMN1; SMN2 (0.49) PTGS2MAPTGPR84KDM4EALDH1A1
SCHEMBL6952786 0.79 L3MBTL1 (0.39) PTGS2MAPTHTR2BGPR84HTR3A
SCHEMBL11787842 0.78 ALDH1A1 (0.45) PTGS2MAPTHTR2BGPR84HTR3A
SCHEMBL6959678 0.78 SMN1; SMN2 (0.42) MAPTHTR2BGPR84HTR3AKDM4E
SCHEMBL6958994 0.78 HPGD (0.45) ATMMAPTKDM4EALDH1A1CNR2
SCHEMBL6954657 0.77 SMN1; SMN2 (0.44) MAPTHTR2BGPR84HTR3AKDM4E
SCHEMBL6965249 0.77 HCAR2 (0.40) MAPTGPR84KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed