SCHEMBL16348342

SCHEMBL16348342

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ELANE P08246 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL16348367 0.93 JMJD6 (0.39) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348360 0.92 JMJD6 (0.42) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348326 0.90 PPARG (0.41) SMN1; SMN2JMJD6MAPTHTTPPARG
SCHEMBL16348327 0.90 PPARA (0.46) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348362 0.86 PPARG (0.42) NPC1POLBRAB9ASMN1; SMN2JMJD6
SCHEMBL16348380 0.85 JMJD6 (0.40) NPC1RAB9ASMN1; SMN2JMJD6ALDH1A1
SCHEMBL16348309 0.85 PPARA (0.52) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16348312 0.83 PPARA (0.43) NPC1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL16348368 0.83 PPARG (0.38) SMN1; SMN2MAPTELANEADORA1PPARG
SCHEMBL16348426 0.83 PSEN1 (0.38) 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