SCHEMBL20439216

SCHEMBL20439216

Cc1ccc(Oc2ccccc2)cc1C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
MAPK14 Q16539 3/20 0.60
PPARG P37231 3/20 0.57
PPARD Q03181 3/20 0.57
PPARA Q07869 3/20 0.57
HTT P42858 3/20 0.56
MAPK8 P45983 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MMP13 P45452 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL20439234 0.84 NR1H4 (0.56) HPGDMAPK14HTTSMN1; SMN2MMP13
SCHEMBL25044550 0.81 SMN1; SMN2 (0.74) HPGDHTTSMN1; SMN2LMNACYP3A4
SCHEMBL22647188 0.81 MAPK14 (0.60) HPGDMAPK14PPARGPPARDPPARA
SCHEMBL2910477 0.79 LMNA (0.59) SMN1; SMN2MMP13LMNA
SCHEMBL8738321 0.79 MAPK14 (0.76) HPGDMAPK14HTTSMN1; SMN2MMP13
SCHEMBL18382971 0.79 HTT (0.59) HPGDHTTSMN1; SMN2LMNACYP3A4
SCHEMBL16658357 0.79 HPGD (0.69) HPGDHTTSMN1; SMN2LMNACYP3A4
SCHEMBL25045867 0.79 HPGD (0.60) HPGDHTTSMN1; SMN2LMNACYP3A4
SCHEMBL12391553 0.79 HTT (0.59) HPGDHTTSMN1; SMN2LMNACYP3A4
SCHEMBL8738317 0.78 HPGD (0.97) HPGDMAPK14PPARGPPARAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018140186-A1 A PROCESS FOR PREPARING 5-PHENOXY-1(3H)ISOBENZOFURANONE KINGCHEM LIFE SCIENCE LLC (US) 2018-08-02 WO disclosed