SCHEMBL10799345

SCHEMBL10799345

CC(O)CCc1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.58
▸ CYP2A6 P11509 1/20 0.46
▸ HCAR2 Q8TDS4 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ MME P08473 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ BRS3 P32247 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL11802122 0.81 CSNK2A1 (0.55) CYP2A6SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL11807188 0.81 GRIA4 (0.55) HCAR2GRM2MMP2
SCHEMBL11823728 0.80 MAOB (0.54) MAOBCYP2A6HCAR2MMEMMP2
SCHEMBL11832648 0.80 MAOB (0.54) MAOBCYP2A6HCAR2GRM2HSD11B1
SCHEMBL11833689 0.80 MAOB (0.47) MAOBHCAR2GRM2MMEMMP2
SCHEMBL4629521 0.79 MAOB (0.70) MAOBCYP2A6HCAR2GRM2HSD11B1
SCHEMBL10585872 0.79 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL425971 0.79 MMP12 (0.59) MMEMMP2MMP9MMP12MMP13
SCHEMBL11832645 0.79 MAOB (0.56) MAOBCYP2A6HCAR2GRM2MME
SCHEMBL11829433 0.79 MAOB (0.49) MAOBCYP2A6HCAR2GRM2MME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4714789-A AND OBESITY P. F. MEDICAMENT (FR) 1987-12-22 — — US claimed
US-4714789-A AND OBESITY P. F. MEDICAMENT (FR) 1987-12-22 — — US disclosed
US-3950427-A ANTIINFLAMMATORY, ANTIPYRETIC BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — US disclosed
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