SCHEMBL7872504

SCHEMBL7872504

CCCC[Sn](CCCC)(CCCC)c1ccc(N(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
PTGES O14684 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4A O75164 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL31577769 0.77 KDM4E (0.41) ALDH1A1MAPK1KDM4ENPC1MAPT
SCHEMBL502805 0.77 KDM4E (0.41) ALDH1A1MAPK1KDM4ENPC1MAPT
SCHEMBL12487887 0.76 KDM6B (0.31) ALDH1A1TSHRALOX15KDM4EMAPT
SCHEMBL30425450 0.76 KDM4E (0.39) ALDH1A1TSHRHSD17B10KDM4ENPC1
SCHEMBL31387537 0.76 HTR7 (0.33) NPC1RAB9A
SCHEMBL16290789 0.76 NPC1 (0.41) ALDH1A1TSHRHSD17B10MAPK1NPC1
SCHEMBL29687009 0.76 NPC1 (0.41) ALDH1A1TSHRHSD17B10MAPK1NPC1
SCHEMBL19207125 0.76 HTR7 (0.33) NPC1RAB9A
SCHEMBL15561443 0.76 RAB9A (0.42) ALDH1A1MAPK1KDM4ENPC1RAB9A
SCHEMBL2178833 0.76 L3MBTL1 (0.38) ALDH1A1TSHRALOX15HSD17B10MAPK1

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-6319948-B2 PREVENTION AND/OR MINIMIZATION OF SURGICAL ADHESION FORMATION BY ADMINISTERING CERTAIN SUBSTITUTED (5,6)-DIHYDRONAPHTHALENYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2001-11-20 US disclosed
WO-1998046228-A1 RETINOID ANTAGONISTS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-22 WO disclosed