SCHEMBL14468305

SCHEMBL14468305

CCC(C)(CC)C(=O)Oc1ccc(C2(c3ccc(OC)cc3)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.56
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL14383831 0.91 ADORA3 (0.57) ADORA3ESR1ESR2CHRM2ELANE
SCHEMBL13313103 0.90 ADORA3 (0.56) ADORA3ESR1ESR2BACE1SLC6A4
SCHEMBL15762833 0.89 ADORA3 (0.62) ADORA3ESR1ESR2SLC6A4SLC6A3
SCHEMBL14160487 0.88 ADORA3 (0.60) ADORA3ESR1ESR2SLC6A4SLC6A3
SCHEMBL12964436 0.88 ADORA3 (0.60) ADORA3ESR1ESR2SLC6A4SLC6A3
SCHEMBL15872109 0.87 ADORA3 (0.51) ADORA3ESR1ESR2BACE1SLC6A4
SCHEMBL18201879 0.86 ELANE (0.56) ADORA3ESR1ESR2BACE1SLC6A4
SCHEMBL14046722 0.83 ADORA3 (0.56) ADORA3ESR1ESR2SLC6A4SLC6A3
SCHEMBL14108149 0.81 ADORA3 (0.51) ADORA3ESR1ESR2BACE1SLC6A4
SCHEMBL14462629 0.81 ADORA3 (0.56) ADORA3ESR1ESR2BACE1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3165518-A1 TRIARYLAMINE DERIVATIVE, ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND METHOD FOR PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER Kyocera Document Solutions Inc. (JP) 2017-05-10 — — EP disclosed
US-20070172752-A1 IMAGE FORMING APPARATUS AND IMAGE FORMING METHOD RICOH COMPANY, LTD. (JP) 2007-07-26 — — US disclosed
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