SCHEMBL9736712

SCHEMBL9736712

O=COc1cc2[nH]ccc2cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.42
TYR P14679 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
RAD51 Q06609 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BACE1 P56817 3/20 0.40
GPR84 Q9NQS5 1/20 0.39
APP P05067 1/20 0.38
MAPT P10636 1/20 0.38
ENPP2 Q13822 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CSNK2A1 P68400 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL515472 0.93 CYP2A6 (0.42) CYP2A6TYRUSP2GAAALOX15
SCHEMBL9736014 0.79 TLR8 (0.49) CYP2A6BACE1GPR84APPMAPT
SCHEMBL1959555 0.77 POLB (0.50) TYRUSP2GAAALOX15RAD51
SCHEMBL19506399 0.77 TYR (0.46) CYP2A6TYRUSP2GAAALOX15
SCHEMBL9735764 0.77 KDM4E (0.40) CYP2A6GAABACE1GPR84APP
SCHEMBL9736443 0.77 KDM4E (0.40) CYP2A6GAABACE1GPR84APP
SCHEMBL9442085 0.75 BACE1 (0.42) TYRUSP2GAAALOX15RAD51
SCHEMBL8415403 0.75 INPPL1 (0.42) TYRUSP2GAAALOX15RAD51
SCHEMBL31375356 0.73 TYR (0.58) CYP2A6TYRUSP2GAAALOX15
SCHEMBL28298713 0.73 TYR (0.58) CYP2A6TYRUSP2GAAALOX15

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-5126125-A Decreasing the melanin content in mammalian skin and hair using 5,6-dihydroxindole derivatives YALE UNIVERSITY (US) 1992-06-30 US disclosed
US-4956174-A COSMETICS, TANNING, PIGMENTATION L'OREAL (FR) 1990-09-11 US disclosed
US-4822375-A LIGHTFAST, WEATHER RESISTANT, NATURAL APPEARING HAIR DYES L'OREAL (FR) 1989-04-18 US disclosed