SCHEMBL13401992

SCHEMBL13401992

CCCCCCCOc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
HRH3 Q9Y5N1 4/20 0.46
NR5A1 Q13285 1/20 0.45
LMNA P02545 1/20 0.45
S1PR3 Q99500 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
LTA4H P09960 1/20 0.43
ACACB O00763 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL9512268 0.99 RAB9A (0.51) RAB9AHRH3NR5A1LMNAS1PR3
SCHEMBL9511312 0.96 RAB9A (0.53) RAB9AHRH3LMNACYP2C9HPGD
SCHEMBL9510177 0.95 RAB9A (0.48) RAB9AHRH3LMNACYP2C9HPGD
SCHEMBL9510023 0.92 RAB9A (0.50) RAB9AHRH3CYP2C9HPGDNPC1
SCHEMBL9742301 0.92 HRH3 (0.44) RAB9AHRH3NR5A1LMNAS1PR3
SCHEMBL9742742 0.92 HRH3 (0.44) RAB9AHRH3NR5A1LMNAS1PR3
SCHEMBL9742308 0.92 HRH3 (0.44) RAB9AHRH3NR5A1LMNAS1PR3
SCHEMBL9496673 0.90 RAB9A (0.42) RAB9AHRH3NR5A1LMNAS1PR3
SCHEMBL9743946 0.90 RAB9A (0.45) RAB9AHRH3LMNAS1PR3CYP2C9
SCHEMBL9743953 0.90 RAB9A (0.45) RAB9AHRH3LMNAS1PR3CYP2C9

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-7705105-B2 A cyclic polymer of silsesquioxane skeleton with side chains formed byhydrosilation of an unsaturated end group containing an active polymerfunctional group; polyimidesiloxane copolymers; polyestersiloxane copolymers; high molecular weight; thin films; strength; heat resistance;waterproofing; CHISSO PETROCHEMICAL CORPORATION (JP) 2010-04-27 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed