SCHEMBL6934381

SCHEMBL6934381

COC(=O)c1ccc(Sc2cccc(OCCCCl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
RAB9A P51151 2/20 0.51
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6932258 0.89 MAPT (0.50) MAPTRAB9AMTNR1AMTNR1BKDM4E
SCHEMBL6936853 0.87 MAPT (0.66) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2087816 0.81 ALDH1A1 (0.56) MAPTRAB9ANPC1POLBBLM
SCHEMBL6937194 0.81 HSD17B10 (0.44) MAPTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL31511812 0.78 TSHR (0.53) MAPTRAB9AKDM4ENPC1POLB
SCHEMBL2088837 0.78 MAPT (0.79) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL692907 0.77 ALDH1A1 (0.53) MAPTRAB9AKDM4ENPC1POLB
SCHEMBL2705257 0.76 MAPT (0.49) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL10651011 0.76 TDP1 (0.53) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6934389 0.76 CA1 (0.53) MAPTKDM4ESMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed