SCHEMBL16348381

SCHEMBL16348381

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ACSS2 Q9NR19 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PTGER1 P34995 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ JMJD6 Q6NYC1 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
SCHEMBL16348319 0.91 ACSS2 (0.40) RAB9ANPC1SMN1; SMN2POLBACSS2
SCHEMBL16348328 0.85 NPC1 (0.41) RAB9ANPC1SMN1; SMN2POLBACSS2
SCHEMBL16348359 0.85 NPC1 (0.39) RAB9ANPC1SMN1; SMN2POLBACSS2
SCHEMBL16348309 0.74 PPARA (0.52) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL16348312 0.69 PPARA (0.43) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL16348360 0.67 JMJD6 (0.42) RAB9ANPC1SMN1; SMN2POLBTSHR
SCHEMBL16350102 0.67 PPARG (0.46) RAB9ANPC1SMN1; SMN2TSHRRECQL
SCHEMBL16348318 0.66 PTGER1 (0.39) RAB9ANPC1SMN1; SMN2CYP2C9MAPT
SCHEMBL16348367 0.66 JMJD6 (0.39) RAB9ANPC1SMN1; SMN2POLBTSHR
SCHEMBL16348369 0.65 PPARA (0.48) CYP1A2CYP2D6CYP2C19KMT2APTGER1

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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