SCHEMBL18258684

SCHEMBL18258684

CC(=O)N(CCS)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B1 P14061 1/20 0.34
CA12 O43570 1/20 0.34
BRD4 O60885 1/20 0.34
NR1I2 O75469 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MB P02144 1/20 0.34
CYP1A1 P04798 1/20 0.34
CA3 P07451 1/20 0.34
RARG P13631 1/20 0.34
ALOX5AP P20292 1/20 0.34
CA4 P22748 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
SCHEMBL29588899 0.83 ESR1 (0.42) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL27365059 0.81 CYP3A4 (0.41) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL9614627 0.80 HSD17B3 (0.44) ESR1ESR2ALDH1A1TSHRLMNA
SCHEMBL10926482 0.79 ALDH1A1 (0.48) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL6909286 0.78 CA2 (0.42) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL8390888 0.77 NPC1 (0.51) ESR1ESR2ALDH1A1CYP3A4ACHE
SCHEMBL27872334 0.77 ESR1 (0.40) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL9645342 0.77 ESR1 (0.40) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL6801979 0.76 LTB4R2 (0.53) ESR1ESR2ALDH1A1CYP3A4CYP2C9
SCHEMBL935744 0.76 MLYCD (0.41) ESR1ESR2ALDH1A1CA2

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-3097904-B1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN AFFICHEM (FR) 2019-08-14 EP disclosed
WO-2016193220-A1 SKIN PIGMENTATION MODIFIERS TO DARKEN OR LIGHTEN THE SKIN AFFICHEM (FR) 2016-12-08 WO disclosed
EP-3097904-A1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN Affichem (FR) 2016-11-30 EP disclosed