SCHEMBL9418177

SCHEMBL9418177

CC1(c2ccc(O)cc2)CCc2cc(O)ccc2C1CCCCNC(=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ OPRL1 P41146 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL10805903 0.81 ESR1 (0.35) ESR1ESR2CYP19A1
SCHEMBL10565611 0.76 ESR1 (0.47) LMNAESR1ESR2CYP19A1MEN1
SCHEMBL10639909 0.73 ESR1 (0.35) LMNAESR1ESR2CYP19A1MEN1
SCHEMBL10630224 0.73 STS (0.40) KDM4ELMNAESR1ESR2
SCHEMBL9418224 0.72 ESR1 (0.69) ESR1ESR2
SCHEMBL10977119 0.71 STS (0.41) ESR1ESR2CYP19A1
SCHEMBL7379616 0.70 TRPV1 (0.76) HPGDKDM4ELMNATRPV1GAA
SCHEMBL10640037 0.70 ESR1 (0.36) ESR1ESR2CYP19A1
SCHEMBL14569854 0.70 ESR1 (0.54) LMNAESR1ESR2MEN1KMT2A
SCHEMBL10641435 0.70 STS (0.41) KDM4ELMNAESR1ESR2

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
EP-0346014-B1 Therapeutic product for the treatment of peri- or postmenopausal conditions ZENECA LTD (GB) 1994-08-03 — — EP disclosed
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