SCHEMBL8580943

SCHEMBL8580943

O=C(O)[C@@H]1CCOc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.45
FFAR1 O14842 1/20 0.45
MAOB P27338 3/20 0.42
TP53 P04637 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ACSL1 P33121 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1519203 1.00 FFAR2 (0.45) FFAR2FFAR1MAOBTP53ADORA2A
SCHEMBL8576142 1.00 FFAR2 (0.45) FFAR2FFAR1MAOBTP53ADORA2A
SCHEMBL31303534 0.85 TP53 (0.41) FFAR2MAOBTP53ADORA2AADORA1
SCHEMBL4980559 0.83 TP53 (0.53) FFAR2MAOBTP53ADORA2AADORA1
SCHEMBL4980691 0.83 TP53 (0.53) FFAR2MAOBTP53ADORA2AADORA1
SCHEMBL1519231 0.83 TP53 (0.53) FFAR2MAOBTP53ADORA2AADORA1
SCHEMBL30572124 0.83 TP53 (0.53) FFAR2MAOBTP53ADORA2AADORA1
SCHEMBL17448042 0.81 TP53 (0.44) MAOBTP53ADORA2AADORA1
Water SCHEMBL29052781 0.81 TP53 (0.52) FFAR2MAOBTP53ADORA2AADORA1
SCHEMBL30515390 0.81 TP53 (0.52) FFAR2MAOBTP53ADORA2AADORA1

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-1998016527-A1 BENZOXEPINE DERIVATIVES WHICH PROMOTE RELEASE OF GROWTH HORMONE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-23 WO disclosed