SCHEMBL10729151

SCHEMBL10729151

CNC(C)CCCC(C)(C)c1ccc(O)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 7/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP2C9 P11712 2/20 0.35
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MIF P14174 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP2D6 P10635 2/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL10573786 0.86 ALOX15 (0.38) LMNAALOX15CYP2C9ALDH1A1CYP3A4
SCHEMBL3700326 0.84 TYR (0.40) TYRHTTLMNAHSD17B10ALOX15
SCHEMBL10726021 0.83 ACACB (0.34) TYRMEN1KMT2APOLBAPEX1
SCHEMBL10411311 0.82 TSHR (0.43) CYP2C9ALDH1A1TSHRCYP2D6MAPK1
SCHEMBL10729595 0.82 TYR (0.38) TYRHTTLMNAHSD17B10ALOX15
SCHEMBL10732542 0.79 TYR (0.36) TYRHTTLMNAHSD17B10ALOX15
SCHEMBL10727308 0.79 TYR (0.36) TYRHTTLMNAHSD17B10ALOX15
SCHEMBL10729070 0.79 TYR (0.36) TYRHTTLMNAHSD17B10ALOX15
SCHEMBL10729193 0.79 HPGD (0.49) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL11115405 0.78 TYR (0.49) TYRHTTLMNAHSD17B10ALOX15

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
US-4661601-A PHOTOGRAPHIC BLACK COLOR COUPLER CIBA-GEIGY AG (CH) 1987-04-28 US disclosed
EP-0069066-A1 Resorcinols and their preparation CIBA-GEIGY AG (CH) 1983-01-05 EP disclosed