SCHEMBL7302211

SCHEMBL7302211

CCOC(=O)C1(C(=O)O)CCc2ccc(COc3ccc(C#N)cc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.45
MAOB P27338 8/20 0.44
MAOA P21397 2/20 0.44
RAB9A P51151 2/20 0.43
FFAR1 O14842 2/20 0.40
PTGER4 P35408 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
RXRA P19793 3/20 0.38
RXRG P48443 3/20 0.38
NPC1 O15118 1/20 0.38
ADAM17 P78536 1/20 0.37
ACHE P22303 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL7300468 0.72 RAB9A (0.44) RXRBMAOBMAOARAB9AFFAR1
SCHEMBL7308316 0.70 MAOB (0.56) RXRBMAOBMAOARAB9AFFAR1
SCHEMBL7302216 0.69 MAOB (0.47) RXRBMAOBMAOARAB9AFFAR1
SCHEMBL13259217 0.67 CYP4F2 (0.45)
SCHEMBL30684883 0.66 BRD4 (0.48) RAB9ANPC1
SCHEMBL7308740 0.66 MAOB (0.57) RXRBMAOBMAOARAB9AFFAR1
SCHEMBL16836056 0.66 OPRM1 (0.39)
SCHEMBL21326920 0.65 MAOB (0.44) RXRBMAOBMAOARAB9APTGER4
SCHEMBL10627232 0.65 SAE1 (0.47) RAB9ANPC1
SCHEMBL3304604 0.65 PDCD1 (0.41)

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
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed