SCHEMBL10785944

SCHEMBL10785944

CCC(O)(c1cccc(Cl)c1)c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.41
▸ SCN5A Q14524 3/20 0.40
▸ SCN9A Q15858 3/20 0.40
▸ CYP19A1 P11511 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KIF11 P52732 5/20 0.37
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10356950 0.85 TSHR (0.41) CHRM3SCN5ASCN9ACYP19A1TSHR
SCHEMBL11618396 0.82 KIF11 (0.49) CHRM3SCN5ASCN9ACYP19A1KIF11
SCHEMBL10816937 0.82 ALDH1A1 (0.47) CHRM3TSHRALDH1A1TDP1KIF11
SCHEMBL11373504 0.80 BCL2 (0.42) CYP19A1TSHRHTR2AHTR2CADRA1A
SCHEMBL10789110 0.78 SCN5A (0.45) CHRM3SCN5ASCN9ACYP19A1TSHR
SCHEMBL9327070 0.78 TSHR (0.54) TSHRALDH1A1TDP1KIF11ESR2
SCHEMBL27898460 0.77 SCN5A (0.36) CHRM3SCN5ASCN9AKIF11HTR2A
SCHEMBL11085561 0.74 SCN5A (0.46) CHRM3SCN5ASCN9ATSHRKIF11
SCHEMBL23003764 0.73 ALDH1A1 (0.41) TSHRALDH1A1TDP1ESR2NPSR1
SCHEMBL10356151 0.73 ALDH1A1 (0.45) TSHRALDH1A1TDP1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116787-B1 1,1-DIPHENYLPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Richter Gedeon Vegyészeti Gyár R.T. (HU) 1987-03-18 — — EP disclosed
US-4605785-A I(DUCE POLYSUBSTRATE MONOOXYGENASE ENZYME SYSTEM OF LIV)R WI HOUT GENTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1986-08-12 — — US disclosed
EP-0116787-A1 1,1-Diphenylpropanol derivatives, process for their preparation and pharmaceutical compositions containing them Richter Gedeon Vegyészeti Gyár R.T. (HU) 1984-08-29 — — EP disclosed
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