SCHEMBL9236758

SCHEMBL9236758

O=C1CCC(Cc2cccc(Br)c2)CO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.37
CYP19A1 P11511 2/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
PARP1 P09874 1/20 0.35
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2933979 0.82 GBA1 (0.44) MAOBCYP19A1TAAR1
SCHEMBL30431712 0.76 TAAR1 (0.48) MAOBKMT2ATAAR1MBTD1L3MBTL3
SCHEMBL24187547 0.76 TAAR1 (0.48) MAOBKMT2ATAAR1MBTD1L3MBTL3
SCHEMBL16334340 0.73 SMN1; SMN2 (0.47) MAOBKMT2ATAAR1MBTD1L3MBTL3
SCHEMBL16334058 0.73 SMN1; SMN2 (0.47) MAOBMAOAKMT2ATAAR1MBTD1
SCHEMBL28496876 0.72 CA1 (0.43) MAOBCYP19A1KMT2A
SCHEMBL5855626 0.70 TAAR1 (0.40) MAOBTAAR1IDO1AGXTSMN1; SMN2
SCHEMBL31494618 0.70 HTR1D (0.46) MAOBMAOAKMT2ATAAR1
SCHEMBL18367810 0.69 PTGS2 (0.49) KMT2AMBTD1L3MBTL3PARP1SMN1; SMN2
SCHEMBL26187523 0.68 TAAR1 (0.44) MAOBTAAR1MBTD1L3MBTL3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339046-B1 LEUKOTRIENE B 4 ANALOGS UPJOHN CO (US) 1995-02-15 EP disclosed
US-5116981-A Antiinflammatory leukotriene B4 analogs THE UPJOHN COMPANY (US) 1992-05-26 US disclosed
EP-0339046-A1 LEUKOTRIENE B 4? ANALOGS. UPJOHN CO (US) 1989-11-02 EP disclosed
WO-1988005045-A1 LEUKOTRIENE B4 ANALOGS THE UPJOHN COMPANY (US) 1988-07-14 WO disclosed