SCHEMBL8458030

SCHEMBL8458030

C=CCOC(=O)c1ccc(N=C(Cl)c2ccc(OC)c(C(C)(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.44
ACR P10323 2/20 0.44
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
SNCA P37840 1/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
WDR5 P61964 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 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
SCHEMBL8839247 0.81 RARA (0.44) PRSS1ACRRARARARBRARG
SCHEMBL8460896 0.80 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8459731 0.79 RARA (0.48) PRSS1ACRRARARARBRARG
SCHEMBL8839216 0.74 RARA (0.40) PRSS1RARARARBRARGSNCA
SCHEMBL8459684 0.74 CYP3A4 (0.43) RARARARBRARGSNCAALDH1A1
SCHEMBL8839322 0.73 KDM4E (0.39) RARARARBRARGKDM4EALDH1A1
SCHEMBL7594781 0.71 LMNA (0.46) SNCAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6430392 0.71 MAPT (0.63) SNCAKDM4EMEN1KMT2ACYP3A4
SCHEMBL9737345 0.71 HSP90AA1 (0.50) RARARARBRARGSNCAALDH1A1
SCHEMBL21376220 0.70 HSD17B2 (0.61) RARARARBRARGKDM4EALDH1A1

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-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US disclosed
US-5753239-A Bi-aromatic compounds and pharmaceutical and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DEMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1998-05-19 US disclosed