SCHEMBL19557218

SCHEMBL19557218

CCc1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 11/20 0.40
▸ MAOB P27338 11/20 0.40
▸ HSD17B1 P14061 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ PRKCI P41743 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.36
▸ CYP2A6 P11509 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
SCHEMBL18634514 0.81 ATM (0.41) MAOAMAOBHSD17B1PRKCIMEN1
SCHEMBL17332111 0.81 PRF1 (0.46) MEN1MAPK1KMT2ABAZ2B
SCHEMBL14013915 0.81 MAOA (0.56) MAOAMAOBHSD17B1PRKCIBAZ2B
SCHEMBL6122076 0.81 MAOB (0.44) MAOAMAOBHSD17B1PRKCIMEN1
SCHEMBL17332134 0.81 MAOA (0.42) MAOAMAOBHSD17B1PRKCIMEN1
SCHEMBL17332146 0.81 MAOB (0.42) MAOAMAOBHSD17B1PRKCIMEN1
SCHEMBL7507446 0.79 MAOA (0.53) MAOAMAOBHSD17B1PRKCIMAPK1
SCHEMBL17332107 0.79 LMNA (0.40) MAOAMAOBHSD17B1PRKCIMEN1
SCHEMBL14966534 0.79 BAZ2B (0.46) MAOAMAOBHSD17B1PRKCIMEN1
SCHEMBL17332076 0.79 ROCK2 (0.44) MAOAMAOBPRKCIMEN1MAPK1

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-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 — — US disclosed
US-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 — — US disclosed
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