SCHEMBL16348348

SCHEMBL16348348

Cc1nc(-c2cc(Cl)ccc2O)oc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
PIM1 P11309 1/20 0.41
IDO1 P14902 5/20 0.41
SLC9A1 P19634 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 2/20 0.39
RAB9A P51151 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL16348379 0.74 EPHX2 (0.44) EPHX2PIM1IDO1CA1CA2
SCHEMBL13522796 0.72 KDM6B (0.73) KDM4ENPC1CASP3RAB9ASENP8
SCHEMBL5534902 0.72 KDM4E (0.59) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL5536101 0.70 NPC1 (0.53) SLC9A1NPC1RAB9AALDH1A1NFKB1
SCHEMBL9863203 0.70 SNCA (0.46) NPC1RAB9AMAPT
SCHEMBL6762328 0.70 MAOA (0.48) EPHX2CA1CA2KDM4ENPC1
SCHEMBL31093991 0.70 HSD17B10 (0.62) EPHX2PIM1IDO1CA1CA2
SCHEMBL6242615 0.70 HSD17B10 (0.62) EPHX2PIM1IDO1CA1CA2
SCHEMBL5539532 0.69 TP53 (0.55) KDM4ENPC1CASP3RAB9ASENP8
SCHEMBL6510628 0.69 IDO1 (0.51) EPHX2PIM1IDO1KDM4ENPC1

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