SCHEMBL16348319

SCHEMBL16348319

CCn1ccc(-c2cc(Cl)ccc2OC(C)(C(=O)O)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 3/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JMJD6 Q6NYC1 1/20 0.35
▸ PTGER1 P34995 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ SLC16A3 O15427 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL16348328 0.94 NPC1 (0.41) ACSS2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL16348381 0.91 RAB9A (0.39) ACSS2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL16348359 0.84 NPC1 (0.39) ACSS2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL16348309 0.76 PPARA (0.52) NPC1RAB9ASMN1; SMN2POLBCYP1A2
SCHEMBL13523144 0.72 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLBCYP1A2
SCHEMBL16348312 0.71 PPARA (0.43) NPC1RAB9ASMN1; SMN2POLBCYP1A2
SCHEMBL16348360 0.69 JMJD6 (0.42) NPC1RAB9ASMN1; SMN2POLBCYP1A2
SCHEMBL13523137 0.69 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2POLBCYP1A2
SCHEMBL16350102 0.69 PPARG (0.46) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL16348318 0.68 PTGER1 (0.39) NPC1RAB9ASMN1; SMN2CYP2C9PTGER1

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-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 — — US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 — — US disclosed
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