SCHEMBL16348367

SCHEMBL16348367

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ELANE P08246 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
ADORA1 P30542 1/20 0.35
CTSA P10619 3/20 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
SCHEMBL16348342 0.93 NPC1 (0.41) JMJD6NPC1POLBRAB9ASMN1; SMN2
SCHEMBL16348312 0.91 PPARA (0.43) NPC1POLBRAB9ASMN1; SMN2CYP1A2
SCHEMBL16348360 0.89 JMJD6 (0.42) JMJD6NPC1POLBRAB9ASMN1; SMN2
SCHEMBL16348380 0.89 JMJD6 (0.40) JMJD6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16348326 0.88 PPARG (0.41) JMJD6SMN1; SMN2MAPT
SCHEMBL16348362 0.84 PPARG (0.42) JMJD6NPC1POLBRAB9ASMN1; SMN2
SCHEMBL16348327 0.84 PPARA (0.46) JMJD6NPC1POLBRAB9ASMN1; SMN2
SCHEMBL16348341 0.83 JMJD6 (0.39) JMJD6SMN1; SMN2MAPTELANECYP2C9
SCHEMBL16348309 0.82 PPARA (0.52) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16348368 0.81 PPARG (0.38) SMN1; SMN2MAPTELANEADORA1

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