SCHEMBL8753959

SCHEMBL8753959

Bc1ccc(O)cc1COc1cccc2c1CCCC2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.57
▸ ADRB2 P07550 2/20 0.46
▸ ADRB1 P08588 2/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ABCB1 P08183 2/20 0.41
▸ BRD4 O60885 4/20 0.40
▸ RXRB P28702 6/20 0.40
▸ RXRA P19793 6/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ RXRG P48443 3/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18829235 0.87 MRGPRX4 (0.53) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL31318410 0.74 MRGPRX4 (0.74) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL5101144 0.74 MRGPRX4 (0.74) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL19883576 0.74 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL6121759 0.74 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL22480543 0.72 MRGPRX4 (1.00) MRGPRX4RXRBRXRARXRGPTGER1
SCHEMBL5270656 0.72 MRGPRX4 (0.56) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL1839684 0.71 MRGPRX4 (0.63) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL21821534 0.70 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL30317439 0.70 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A

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
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — WO disclosed
Send feedback