SCHEMBL8176376

SCHEMBL8176376

CCC(Cc1ccccc1)(C(=O)c1ccc(OCCCO)c(OC)c1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 4/20 0.43
BCHE P06276 3/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
MCHR1 Q99705 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
HSD17B10 Q99714 1/20 0.40
MAOB P27338 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
SCHEMBL8179111 0.91 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8175821 0.91 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL29421022 0.89 ACHE (0.53) HPGDNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL480430 0.89 ACHE (0.53) HPGDNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL21706301 0.83 ACHE (0.45) HPGDNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8776056 0.82 ACHE (0.42) HPGDNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL9315365 0.81 ACHE (0.51) HPGDNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8898433 0.80 OPRM1 (0.53) HPGDSMN1; SMN2ACHEBCHETHRB
SCHEMBL9316355 0.79 CTNNB1 (0.50) ACHEBCHETSHRPOLB
SCHEMBL4652464 0.78 ACHE (0.47) HPGDSMN1; SMN2ACHEBCHEPOLB

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-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US disclosed