SCHEMBL11233432

SCHEMBL11233432

CC(C)(C)c1ccc(C2(CCCl)OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ICMT O60725 2/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
PON1 P27169 1/20 0.31
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL11237330 0.94 KCNH2 (0.41) NPC1RAB9ASMN1; SMN2ICMTKCNH2
SCHEMBL4610723 0.90 RAB9A (0.35) NPC1RAB9ASMN1; SMN2ICMTKCNH2
SCHEMBL11242322 0.86 ICMT (0.35) NPC1RAB9ASMN1; SMN2ICMTKCNH2
SCHEMBL11242731 0.81 L3MBTL1 (0.34) ICMTLMNA
SCHEMBL11254777 0.79 SIGMAR1 (0.32) NPC1RAB9ASMN1; SMN2ICMTKCNH2
SCHEMBL11234154 0.79 SLC6A4 (0.35) ICMTTSHRLMNAMAPTPOLB
SCHEMBL11238469 0.79 POLB (0.33) NPC1RAB9ASMN1; SMN2TSHRSIGMAR1
SCHEMBL11248214 0.77 SLC6A3 (0.34) SMN1; SMN2ICMTLMNA
SCHEMBL3394435 0.77 ICMT (0.32) ICMTKCNH2
SCHEMBL11240674 0.77 L3MBTL1 (0.45) SMN1; SMN2ICMTTSHRSIGMAR1

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
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed