SCHEMBL9711543

SCHEMBL9711543

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.44
LDHB P07195 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
P2RX7 Q99572 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL9711615 0.88 LDHA (0.42) LDHALDHBALDH1A1SMN1; SMN2BRD4
SCHEMBL9711624 0.87 LDHA (0.41) LDHALDHBALDH1A1SMN1; SMN2BRD4
SCHEMBL9711547 0.87 LDHA (0.41) LDHALDHBALDH1A1P2RX7RAB9A
SCHEMBL9711476 0.86 LDHA (0.44) LDHALDHBALDH1A1SMN1; SMN2BRD4
SCHEMBL9711646 0.85 ITGB1 (0.42) LDHALDHBALDH1A1SMN1; SMN2BRD4
SCHEMBL9711557 0.85 ALDH1A1 (0.39) LDHALDHBALDH1A1SMN1; SMN2BRD4
SCHEMBL9711629 0.85 ALDH1A1 (0.38) LDHALDHBALDH1A1CES2CES1
SCHEMBL9711577 0.85 SMN1; SMN2 (0.37) LDHALDHBALDH1A1SMN1; SMN2BRD4
SCHEMBL9711657 0.84 MRGPRX4 (0.42) LDHALDHBALDH1A1SMN1; SMN2LMNA
SCHEMBL9711454 0.83 MAPT (0.44) LDHALDHBALDH1A1SMN1; SMN2BRD4

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed