SCHEMBL7024749

SCHEMBL7024749

COc1ccc(-c2cc(C(=O)O)cs2)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.62
RARG P13631 3/20 0.62
RARA P10276 2/20 0.62
WDR5 P61964 1/20 0.47
ACLY P53396 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TNFRSF1A P19438 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 2/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL6878042 0.87 RARA (0.51) RARBRARGRARAWDR5ACLY
SCHEMBL6871319 0.84 RARA (0.47) RARBRARGRARATNFRSF1AHTT
SCHEMBL6879657 0.80 RARA (0.44) RARBRARGRARAWDR5TNFRSF1A
SCHEMBL6878038 0.79 KDM4E (0.49) RARBRARGRARACA12CA1
SCHEMBL6878037 0.79 KDM4E (0.49) RARBRARGRARACA12CA1
SCHEMBL7024481 0.78 RARA (0.58) RARBRARGRARAWDR5IKBKE
SCHEMBL31325762 0.78 RARA (0.73) RARBRARGRARAWDR5CA12
SCHEMBL1421835 0.78 RARA (0.73) RARBRARGRARAWDR5CA12
SCHEMBL6880780 0.77 RARA (0.44) RARBRARGRARAWDR5TNFRSF1A
SCHEMBL6870705 0.77 RARA (0.44) RARBRARGRARATNFRSF1AALDH1A1

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
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP disclosed
EP-0832081-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033881-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed