SCHEMBL6932258

SCHEMBL6932258

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
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 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMPD1 P17405 3/20 0.41
KMT2A Q03164 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL6934381 0.89 MAPT (0.51) MAPTRAB9AMTNR1AMTNR1BKDM4E
SCHEMBL31155867 0.79 ALDH1A1 (0.55) MAPTRAB9ANPC1POLBBLM
SCHEMBL27555500 0.79 ALDH1A1 (0.55) MAPTRAB9ANPC1POLBBLM
SCHEMBL1964810 0.78 MAPT (0.77) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL24684534 0.77 MAPT (0.74) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL6132800 0.77 MAPT (0.74) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL6552013 0.77 MAPT (0.74) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7317310 0.77 MAPT (0.74) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL30325377 0.77 MAPT (0.74) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL31511812 0.77 TSHR (0.53) MAPTRAB9AKDM4ENPC1POLB

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