SCHEMBL29915985

SCHEMBL29915985

COc1ccc(C=CC=CC=O)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.70
CYP1A1 P04798 13/20 0.70
CYP1B1 Q16678 13/20 0.70
ALDH1A1 P00352 3/20 0.66
NFE2L2 Q16236 2/20 0.62
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2E1 P05181 1/20 0.58
CYP2C8 P10632 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2A6 P11509 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP4B1 P13584 1/20 0.58
CYP2B6 P20813 1/20 0.58
CYP3A5 P20815 1/20 0.58
CYP2A7 P20853 1/20 0.58
CYP3A7 P24462 1/20 0.58

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
SCHEMBL1426026 1.00 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL1426024 1.00 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL714242 0.93 CYP1A2 (0.75) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL29575647 0.93 CYP1A2 (0.75) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL4624144 0.93 CYP1A2 (0.75) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL26924044 0.91 CYP1A2 (0.84) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL25706432 0.83 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL15932970 0.82 CYP1A2 (0.75) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL24017227 0.81 CYP1A2 (0.58) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL30342416 0.81 CYP1A2 (0.83) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN disclosed