SCHEMBL9702772

SCHEMBL9702772

O=C(O)c1ccc2cc(Nc3ccc(O)cc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.51
TYR P14679 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 4/20 0.46
SRD5A2 P31213 1/20 0.46

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
Hydroquinone SCHEMBL10526772 0.85 CA12 (0.68) DEGS1TYRCA12CA1CA2
SCHEMBL9702779 0.85 LCK (0.56) DEGS1HSD17B10ALDH1A1HPGDCYP3A4
Paraben SCHEMBL9579181 0.83 CA12 (0.73) DEGS1TYRCA12CA1CA2
SCHEMBL2127845 0.83 TYR (0.73) DEGS1TYRCA12CA1CA2
Terephthalic Acid SCHEMBL27531137 0.83 CA12 (0.73) DEGS1TYRCA12CA1CA2
Diphenylamine SCHEMBL28427475 0.82 ALDH1A1 (0.64) HSD17B10ALDH1A1HPGDCYP3A4KDM4E
SCHEMBL7524753 0.81 ALDH1A1 (0.69) HSD17B10ALDH1A1HPGDCYP3A4KDM4E
Paraben SCHEMBL7261815 0.80 CA12 (0.67) DEGS1TYRCA12CA1CA2
SCHEMBL9807226 0.80 CA12 (0.60) TYRCA12CA1CA2CA3
SCHEMBL44327 0.79 MEN1 (0.66) TYRCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP claimed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US claimed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP claimed
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed