SCHEMBL14062425

SCHEMBL14062425

CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)nc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.53
TSHR P16473 1/20 0.44
DGAT1 O75907 2/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
XDH P47989 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PIK3CD O00329 1/20 0.41
ALDH1A1 P00352 3/20 0.41
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
HTR1D P28221 1/20 0.38
ADRA1A P35348 1/20 0.38
NISCH Q9Y2I1 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
SCHEMBL12173602 1.00 KIF11 (0.53) KIF11TSHRDGAT1CA12CA9
SCHEMBL14327688 0.89 KIF11 (0.38) KIF11TSHRDGAT1NPC1RAB9A
SCHEMBL25557807 0.85 TSHR (0.41) KIF11TSHRNPC1RAB9APIK3CD
SCHEMBL10220397 0.83 NPC1 (0.45) KIF11CA12CA9NPC1RAB9A
SCHEMBL701703 0.82 TSHR (0.46) KIF11TSHRDGAT1NPC1RAB9A
SCHEMBL22601469 0.82 GPR55 (0.40) KIF11
SCHEMBL22601471 0.82 KIF11 (0.55) KIF11TSHRNPC1RAB9AALDH1A1
SCHEMBL22002106 0.81 ALOX5AP (0.39) KIF11TSHRDGAT1CA12CA9
SCHEMBL14327692 0.81 ALOX5AP (0.39) KIF11TSHRDGAT1CA12CA9
SCHEMBL15706254 0.80 KIF11 (0.54) KIF11ALDH1A1

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
US-7425281-B2 Liquid crystal compositions comprising an organogermanium compound and methods for using the same DISPLAYTECH, INC. (US) 2008-09-16 US disclosed