SCHEMBL11344604

SCHEMBL11344604

NCc1cc(-c2ccccc2)cc(C(=O)C2CCCCC2)c1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
SLC6A9 P48067 1/20 0.44
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
AKR1C2 P52895 3/20 0.38
AKR1C1 Q04828 3/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11347259 0.76 PTPN1 (0.58) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL11347617 0.75 CYP2D6 (0.43) CNR1CNR2
SCHEMBL11341978 0.75 PTPN1 (0.60) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL6271344 0.75 ACMSD (0.58) PTPN1SLC6A9ADORA1
Hydrochloric Acid SCHEMBL11345123 0.74 CYP2D6 (0.42) CNR1CNR2
SCHEMBL11350618 0.74 PTPN1 (0.55) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL11348434 0.74 PTPN1 (0.55) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL11343130 0.74 PTPN1 (0.59) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL11343658 0.73 PTPN1 (0.54) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL11351011 0.72 PTPN1 (0.52) PTPN1PTPN2PTPN6AKR1C2AKR1C1

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
US-4245099-A ANTIINFLAMMATORY, ANALGESIC, DIURETIC, ANTIPYRETIC AND HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-01-13 US disclosed