SCHEMBL7890748

SCHEMBL7890748

C=CCC(=O)Nc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ PEPD P12955 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ MB P02144 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALOX5AP P20292 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ NR1I3 Q14994 1/20 0.48

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
SCHEMBL9113346 0.83 MAOB (0.45) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL28444124 0.83 TGM2 (0.59) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL7816692 0.83 POLB (0.66) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL12803387 0.83 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2576588 0.82 MAOB (0.61) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL23081898 0.81 MAOB (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL28954825 0.81 TRPV1 (0.46) ALDH1A1MEN1KMT2AMAPTTRPV1
SCHEMBL9113337 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL13679387 0.80 HDAC3 (0.55) ALDH1A1MEN1KMT2ATHRBHPGD
SCHEMBL8668351 0.79 CYP1A1 (0.53) CYP1A1ALDH1A1MEN1KMT2AMAPT

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
US-6180844-B1 A FLUORESCENT DYE PRECURSOR USEFUL IN DETECTING BIOLOGICAL ANALYTES AISIN SEIKI KABUSHIKI KAISHA (JP) 2001-01-30 — — US disclosed
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