SCHEMBL18829235

SCHEMBL18829235

Bc1ccc(Cl)cc1COc1cccc2c1CCCC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.53
▸ HPD P32754 6/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PTGER1 P34995 1/20 0.41
▸ MAOA P21397 3/20 0.41
▸ MAOB P27338 3/20 0.41
▸ BRD4 O60885 3/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ABCB1 P08183 2/20 0.38
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37

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
SCHEMBL8753959 0.87 MRGPRX4 (0.57) MRGPRX4ADRB2ADRB1HTR1AADRB3
SCHEMBL6121759 0.87 MRGPRX4 (0.54) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL31318410 0.73 MRGPRX4 (0.74) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL5101144 0.73 MRGPRX4 (0.74) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL19883576 0.73 MRGPRX4 (0.54) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL28349971 0.73 MRGPRX4 (0.59) MRGPRX4SLC6A4MAOAMAOBABCB1
SCHEMBL5270656 0.71 MRGPRX4 (0.56) MRGPRX4ADRB2ADRB1HTR1AADRB3
SCHEMBL17702832 0.69 GAA (0.39) MRGPRX4HPDTSHRMAOAMAOB
SCHEMBL5343062 0.69 HPGD (0.47) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL22480543 0.69 MRGPRX4 (1.00) MRGPRX4PTGER1HPGDRXRARXRB

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-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 — — EP disclosed
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