SCHEMBL9315323

SCHEMBL9315323

CCOc1c(O)ccc2cc(C)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
ESR1 P03372 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 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
SCHEMBL9315345 0.81 ESR1 (0.41) ESR1CA12CA1CA7CA9
SCHEMBL9315235 0.73 BCHE (0.35) ALOX5ESR1KDM4EALDH1A1HSD17B10
SCHEMBL18152141 0.73 SCN5A (0.46) ESR1CA12CA1CA2CA7
SCHEMBL11131743 0.72 NQO1 (0.46) ESR1CA12CA1CA2CA7
SCHEMBL30648016 0.70 EIF4A3 (0.37) ESR1KDM4EALDH1A1GAAHPGD
SCHEMBL4429156 0.70 KDM4E (0.44) CA12CA1CA9KDM4EALDH1A1
SCHEMBL2187802 0.68 IDO1 (0.43) ALOX5ESR1CA12CA1CA2
SCHEMBL30220176 0.68 IDO1 (0.43) ALOX5ESR1CA12CA1CA2
SCHEMBL9354906 0.68 DAO (0.33) ESR1KDM4EALDH1A1HSD17B10GAA
SCHEMBL27051592 0.68 TRPA1 (0.33) ALOX5ESR1KDM4EALDH1A1HSD17B10

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-5354870-A Hair dyes L'OREAL (FR) 1994-10-11 US disclosed
US-5131911-A Hair dyes L'OREAL (FR) 1992-07-21 US disclosed