SCHEMBL9764089

SCHEMBL9764089

CCCCCC(=O)Oc1cccc(C(=O)O)c1.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
PLA2G4B P0C869 2/20 0.55
NR1H4 Q96RI1 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PLA2G2A P14555 1/20 0.50
SMPD1 P17405 3/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
AKR1C3 P42330 1/20 0.47

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
SCHEMBL14672405 0.97 PLA2G4B (0.59) KMT2APLA2G4BNR1H4SMN1; SMN2MEN1
SCHEMBL8470183 0.93 AKR1C3 (0.54) KMT2APLA2G4BSMN1; SMN2AKR1C3
SCHEMBL11557990 0.88 KMT2A (0.62) KMT2APLA2G4BNR1H4AKR1C3
SCHEMBL10407331 0.86 KMT2A (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL28823470 0.86 KMT2A (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL11761650 0.86 KMT2A (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL9716543 0.85 KMT2A (0.61) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL17138195 0.85 KMT2A (0.61) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL17138196 0.85 KMT2A (0.61) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL17138156 0.85 KMT2A (0.61) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1306498-A None JP disclosed
US-5002687-A Acyloxybenzoic Acid Bleach Precursor LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-03-26 US disclosed
JP-H01306498-A CLOTH WASHING COMPOSITION UNILEVER NV 1989-12-11 JP disclosed
EP-0337274-A2 Fabric-washing compositions UNILEVER N.V. (NL) 1989-10-18 EP disclosed