SCHEMBL9360465

SCHEMBL9360465

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
GAA P10253 2/20 0.66
CYP3A4 P08684 1/20 0.59
AKR1C3 P42330 1/20 0.59
HSD17B10 Q99714 2/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.55
ELANE P08246 1/20 0.55
ACHE P22303 1/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL258461 0.98 LMNA (0.68) LMNAGAACYP3A4AKR1C3HSD17B10
SCHEMBL29492631 0.98 LMNA (0.68) LMNAGAACYP3A4AKR1C3HSD17B10
Hydrochloric Acid SCHEMBL9082486 0.96 LMNA (0.66) LMNAGAACYP3A4AKR1C3HSD17B10
Hydrazine SCHEMBL8166461 0.95 LMNA (0.64) LMNAGAACYP3A4AKR1C3HSD17B10
Propane SCHEMBL27935115 0.93 LMNA (0.62) LMNAGAACYP3A4AKR1C3HSD17B10
SCHEMBL9701119 0.87 AKR1C3 (0.63) LMNAGAACYP3A4AKR1C3HSD17B10
SCHEMBL10397747 0.86 AKR1C3 (0.72) LMNAGAAAKR1C3HSD17B10KMT2A
SCHEMBL5314324 0.85 ELANE (0.70) LMNAGAACYP3A4KMT2AMEN1
SCHEMBL3141164 0.85 LMNA (0.63) LMNAGAACYP3A4KMT2AMEN1
SCHEMBL30239922 0.85 LMNA (0.63) LMNAGAACYP3A4KMT2AMEN1

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-0337274-B1 Fabric-washing compositions UNILEVER NV (NL) 1994-11-30 EP disclosed
US-5002687-A Acyloxybenzoic Acid Bleach Precursor LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-03-26 US disclosed
EP-0337274-A2 Fabric-washing compositions UNILEVER N.V. (NL) 1989-10-18 EP disclosed