SCHEMBL9124017

SCHEMBL9124017

C=CCOC(=O)c1ccc(O)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
SERPINE1 P05121 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESRRG P62508 1/20 0.40
CES2 O00748 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SNCA P37840 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
SCHEMBL29220172 0.82 CYP3A4 (0.66) CYP3A4ALDH1A1HSD17B10TSHRSERPINE1
SCHEMBL9127373 0.81 CYP3A4 (0.56) CYP3A4ALDH1A1HSD17B10TSHRSERPINE1
SCHEMBL14780479 0.81 CYP3A4 (0.70) CYP3A4ALDH1A1HSD17B10TSHRLMNA
SCHEMBL2925752 0.80 SERPINE1 (0.67) CYP3A4ALDH1A1HSD17B10TSHRSERPINE1
SCHEMBL9124680 0.78 CYP3A4 (0.56) CYP3A4ALDH1A1HSD17B10TSHRSERPINE1
SCHEMBL2966217 0.77 CA12 (0.63) CYP3A4ALDH1A1HSD17B10TSHRSERPINE1
SCHEMBL663178 0.77 TDP1 (0.55) CYP3A4ALDH1A1TSHRSERPINE1ESRRG
SCHEMBL10693946 0.77 CYP3A4 (0.54) CYP3A4ALDH1A1HSD17B10TSHRSERPINE1
SCHEMBL13117667 0.76 TSHR (0.54) CYP3A4ALDH1A1HSD17B10TSHRSERPINE1
SCHEMBL1940800 0.75 CA12 (0.61) ALDH1A1HSD17B10TSHRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468897-A Bi-aromatic esters, a process for their preparation and their use in human or veterinary medicine and in cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-11-21 US disclosed
US-5332856-A Treatment of a dermatologic, rheumatismal, respiratory or ophthalmologic ailment CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1994-07-26 US disclosed
US-5200550-A Administering for dermatologic, rheumatismal, respiratory or ophthalomologic disorders CENTRE INTERNATIONAL DE RECHERCES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1993-04-06 US disclosed