SCHEMBL3658566

SCHEMBL3658566

CC(O)CC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.46
▸ ESR2 Q92731 4/20 0.46
▸ PDCD1 Q15116 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ AR P10275 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGS1 P23219 1/20 0.42

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
SCHEMBL108987 0.77 ESR1 (0.52) ESR1ESR2PDCD1CD274TDP1
SCHEMBL3662096 0.77 TYR (0.47) —
SCHEMBL3662538 0.73 ESR1 (0.47) ESR1ESR2PDCD1CD274TDP1
SCHEMBL4582312 0.73 HSD17B3 (0.53) ESR1ESR2TDP1LMNAMAPT
SCHEMBL980365 0.72 CA2 (0.52) ESR1ESR2LMNASLC6A2TAAR1
SCHEMBL13424144 0.72 ESR1 (0.53) ESR1ESR2PDCD1CD274TDP1
SCHEMBL27473645 0.72 SRC (0.52) ESR1ESR2PDCD1CD274TDP1
SCHEMBL5843647 0.71 ESR1 (0.48) ESR1ESR2PDCD1CD274TDP1
SCHEMBL108145 0.69 CA2 (0.54) ESR1ESR2LMNASLC6A2TAAR1
SCHEMBL10241629 0.69 ESR1 (0.53) ESR1ESR2PDCD1CD274TDP1

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
EP-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 — — EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 — — WO disclosed
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