SCHEMBL9724065

SCHEMBL9724065

CC=C(CC)Oc1ccc(C(=O)COCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
ELANE P08246 1/20 0.40
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PTGS1 P23219 1/20 0.37
PDE4B Q07343 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
SCHEMBL11584102 0.86 KMT2A (0.43) SMN1; SMN2ALDH1A1RAB9ANPC1ELANE
SCHEMBL11583299 0.85 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1RAB9ANPC1ELANE
SCHEMBL11582054 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1ELANE
SCHEMBL7029995 0.80 HSD17B10 (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1ELANE
SCHEMBL9724066 0.71 MAPT (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL3194897 0.70 TDP1 (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL11582556 0.70 F3 (0.60) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL11323924 0.69 HDAC3 (0.66) ALDH1A1RAB9ANPC1RECQLMAPT
SCHEMBL9364615 0.69 CYSLTR2 (0.50) KMT2AMAPT
SCHEMBL11032181 0.68 KMT2A (0.51) SMN1; SMN2ALDH1A1RAB9AKMT2AMAPT

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
JP-4074151-A None JP disclosed
JP-H0474151-A PRODUCTION OF PHENOXYCARBOXYLIC ACID DERIVATIVE NIPPON ZEON CO LTD 1992-03-09 JP disclosed
US-4085135-A ANTIULCER TAISHO PHARMACEUTICAL CO., LTD. (JA) 1978-04-18 US disclosed