SCHEMBL11253231

SCHEMBL11253231

CCCO/N=C(/[C]=O)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.39
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.38
NPC1 O15118 4/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 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
SCHEMBL11253237 1.00 KMT2A (0.43) KMT2AMAPTMEN1TSHRPOLB
SCHEMBL11264615 0.88 NPC1 (0.40) KMT2AMAPTTSHRHDAC3NPC1
SCHEMBL9329375 0.88 NPC1 (0.40) KMT2AMAPTTSHRHDAC3NPC1
SCHEMBL9143119 0.80 CES2 (0.47) KMT2AMEN1POLBNPC1CES2
SCHEMBL6878186 0.80 CES2 (0.47) KMT2AMEN1POLBNPC1CES2
SCHEMBL6878184 0.80 CES2 (0.47) KMT2AMEN1POLBNPC1CES2
SCHEMBL9864813 0.79 PTPN1 (0.41) KMT2AMAPTMEN1POLBNPC1
SCHEMBL10774849 0.79 PTPN1 (0.41) KMT2AMAPTMEN1POLBNPC1
SCHEMBL9864807 0.79 PTPN1 (0.41) KMT2AMAPTMEN1POLBNPC1
SCHEMBL11137416 0.78 KMT2A (0.45) KMT2AMAPTMEN1TSHRPOLB

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-4350694-A OXACEPHALOSPORINS/; FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-21 US disclosed
US-4234724-A OXADETHIACEPHEMCARBOXYLIC ACIDS FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-11-18 US disclosed