SCHEMBL18685684

SCHEMBL18685684

CCC(C)(C)Oc1ccc(C2(c3ccc(OC(=O)C(C)(C)C(C)(C)Oc4ccc(-c5ccc(OC(=O)C(C)(C)CC)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.51
▸ ELANE P08246 1/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ KIT P10721 1/20 0.31
▸ PPARA Q07869 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ PSMB1 P20618 1/20 0.30
▸ PSMB5 P28074 1/20 0.30
▸ PSMB2 P49721 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
SCHEMBL10084007 0.91 ADORA3 (0.60) ADORA3ELANEESR1ESR2PPARA
SCHEMBL19645494 0.86 ADORA3 (0.49) ADORA3ELANEESR1ESR2
SCHEMBL21168202 0.84 ADORA3 (0.51) ADORA3ELANEESR1ESR2PPARA
SCHEMBL18231258 0.84 ADORA3 (0.47) ADORA3ELANEPPARASLC6A2SLC6A4
SCHEMBL22244085 0.83 ADORA3 (0.57) ADORA3ELANEESR1ESR2PPARA
SCHEMBL10030680 0.83 ADORA3 (0.57) ADORA3ELANEESR1ESR2PPARA
SCHEMBL10122316 0.83 ADORA3 (0.62) ADORA3ELANEESR1ESR2PPARA
SCHEMBL13380378 0.83 ADORA3 (0.62) ADORA3ELANEESR1ESR2PPARA
SCHEMBL17147308 0.82 ADORA3 (0.56) ADORA3ELANEESR1ESR2PPARA
SCHEMBL12964436 0.82 ADORA3 (0.60) ADORA3ELANEESR1ESR2PPARA

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
US-9977354-B2 Coating liquid for electrophotographic photoreceptor production, electrophotographic photoreceptor, and image formation apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-22 — — US disclosed
US-20170090308-A1 COATING LIQUID FOR ELECTROPHOTOGRAPHIC PHOTORECEPTOR PRODUCTION, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, AND IMAGE FORMATION APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-30 — — US disclosed
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