SCHEMBL4662015

SCHEMBL4662015

C/C(=C/F)Cc1ccc(OCC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.45
PARP10 Q53GL7 4/20 0.45
PARP2 Q9UGN5 2/20 0.45
ACACB O00763 3/20 0.44
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL4659340 0.83 FFAR1 (0.43) ACACBPPARD
SCHEMBL4660623 0.83 FFAR1 (0.43) ACACBPPARD
SCHEMBL1295883 0.79 MAOA (0.47) PARP15PARP10PARP2
SCHEMBL1295416 0.79 MAOA (0.47) PARP15PARP10PARP2
SCHEMBL1295412 0.79 MAOA (0.47) PARP15PARP10PARP2
SCHEMBL4660537 0.79 PPARD (0.45) ACACBPPARGPPARDPPARA
SCHEMBL4661933 0.79 PPARD (0.45) ACACBPPARGPPARDPPARA
SCHEMBL12108111 0.75 PARP15 (0.48) PARP15PARP10PARP2ACACBTDP1
SCHEMBL13412904 0.74 PARP15 (0.58) PARP15PARP10PARP2ACACB
SCHEMBL29024848 0.74 PARP15 (0.64) PARP15PARP10PARP2TDP1

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
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP claimed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO claimed