SCHEMBL21785628

SCHEMBL21785628

CCCC(C)(CC)Oc1ccc(C2(c3ccc(OC(=O)C(C)(CC)CCC)cc3)CCCCCCCCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.55
▸ ELANE P08246 3/20 0.38
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A3 Q01959 4/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PPARA Q07869 1/20 0.32
▸ PSMB1 P20618 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ PSMB2 P49721 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL14046722 0.97 ADORA3 (0.56) ADORA3ELANEESR1ESR2SLC6A4
SCHEMBL14462629 0.90 ADORA3 (0.56) ADORA3ELANEESR1ESR2SLC6A4
SCHEMBL14160487 0.90 ADORA3 (0.60) ADORA3ELANEESR1ESR2SLC6A4
SCHEMBL15762833 0.84 ADORA3 (0.62) ADORA3ELANEESR1ESR2SLC6A4
SCHEMBL12964436 0.83 ADORA3 (0.60) ADORA3ELANEESR1ESR2SLC6A4
SCHEMBL14643611 0.83 ADORA3 (0.60) ADORA3ELANEESR1ESR2SLC6A4
SCHEMBL14383831 0.81 ADORA3 (0.57) ADORA3ELANEESR1ESR2MEN1
SCHEMBL14468305 0.80 ADORA3 (0.56) ADORA3ELANEESR1ESR2SLC6A4
SCHEMBL10030680 0.80 ADORA3 (0.57) ADORA3ELANEESR1ESR2SLC6A4
SCHEMBL22244085 0.80 ADORA3 (0.57) ADORA3ELANEESR1ESR2SLC6A4

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
US-20200071461-A1 AROMATIC POLYCARBONATE OLIGOMER SOLID HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2020-03-05 — — US disclosed
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