SCHEMBL16348359

SCHEMBL16348359

CCOC(=O)C(C)(Oc1ccc(Cl)cc1-c1ccn(CC)n1)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JMJD6 Q6NYC1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ PPARA Q07869 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ ELANE P08246 2/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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 0.90 NPC1 (0.41) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348381 0.85 RAB9A (0.39) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348319 0.84 ACSS2 (0.40) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348326 0.75 PPARG (0.41) SMN1; SMN2JMJD6HTT
SCHEMBL16348367 0.72 JMJD6 (0.39) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348327 0.72 PPARA (0.46) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348360 0.72 JMJD6 (0.42) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348309 0.69 PPARA (0.52) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16348312 0.68 PPARA (0.43) NPC1POLBRAB9ASMN1; SMN2PPARA
SCHEMBL13523181 0.66 IDO1 (0.44) NPC1POLBRAB9ASMN1; SMN2JMJD6

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
Send feedback