SCHEMBL31589002

SCHEMBL31589002

C1=C(Cc2ccc(CC3=COC3)cc2)CO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CALM1 P0DP23 1/20 0.30

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
SCHEMBL3393010 0.62 CALM1 (0.44) ALDH1A1TSHRTDP1CALM1
SCHEMBL1923108 0.56 CALM1 (0.58) ALDH1A1CYP3A4TSHRCALM1
SCHEMBL19102829 0.54 CALM1 (0.55) ALDH1A1CYP3A4TSHRCALM1
SCHEMBL8094422 0.52 CALM1 (0.92) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL972712 0.52 CALM1 (0.92) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL6314683 0.50 HRH3 (0.65) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL15071844 0.50 ALDH1A1 (0.47) ESR1ESR2ALDH1A1CYP3A4TSHR
4,4'-Methylenedianiline SCHEMBL28001 0.50 CYP3A4 (1.00) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL746708 0.50 ALDH1A1 (0.47) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL3334615 0.50 CYP2A6 (0.57) ESR1ESR2ALDH1A1CYP3A4TSHR

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-120040723-A Curable composition, cured film, organic EL element, and method for producing same JSR株式会社 2025-05-27 CN disclosed