SCHEMBL10908306

SCHEMBL10908306

CC1CCC(C(C)C)C(OC(=O)c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.62
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
CYP19A1 P11511 2/20 0.50
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
ACLY P53396 1/20 0.46
EPHX1 P07099 2/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL9493633 0.87 ALDH1A1 (0.62) TRPV1ALDH1A1HPGDCYP19A1NPSR1
SCHEMBL1862739 0.86 ALDH1A1 (0.60) TRPV1ALDH1A1HPGDCYP19A1NPSR1
SCHEMBL27219389 0.85 ALDH1A1 (0.59) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL31307177 0.85 ALDH1A1 (0.59) TRPV1ALDH1A1HPGDCYP19A1NPSR1
SCHEMBL10672814 0.85 ALDH1A1 (0.66) TRPV1ALDH1A1HPGDCYP19A1NPSR1
SCHEMBL27219386 0.85 ALDH1A1 (0.59) ALDH1A1HPGDCYP19A1NPSR1KDM4E
Menthyl Benzoate SCHEMBL18708099 0.84 ALDH1A1 (0.69) ALDH1A1HPGDCYP19A1NPSR1KDM4E
Menthyl Benzoate SCHEMBL3885473 0.84 ALDH1A1 (0.69) ALDH1A1HPGDCYP19A1NPSR1KDM4E
Menthyl Benzoate SCHEMBL15498193 0.84 ALDH1A1 (0.69) ALDH1A1HPGDCYP19A1NPSR1KDM4E
Menthyl Benzoate SCHEMBL17407563 0.84 ALDH1A1 (0.69) ALDH1A1HPGDCYP19A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4613442-A OF TRIPHENYLMETHYL METHACRYLATE, FOR OPTICAL RESOLUTION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-23 US disclosed
US-4511475-A RESOLUTION OF RACEMIC MIXTURES WITH TRIPHENYLMETHYL METHACRYLATE POLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-16 US disclosed
EP-0034337-B1 A PROCESS FOR THE OPTICAL RESOLUTION OF A RACEMIC MIXTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-24 EP disclosed
US-4375495-A TRIPHENYLMETHYL METHACRYLATE, HELICES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-01 US disclosed
EP-0034337-A2 A process for the optical resolution of a racemic mixture DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-26 EP disclosed