SCHEMBL11264615

SCHEMBL11264615

CCON=C([C]=O)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ABL1 P00519 1/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9329375 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53CES2
SCHEMBL11253231 0.88 KMT2A (0.43) NPC1RAB9ASMN1; SMN2TP53CES2
SCHEMBL11253237 0.88 KMT2A (0.43) NPC1RAB9ASMN1; SMN2TP53CES2
SCHEMBL6878186 0.82 CES2 (0.47) NPC1RAB9ASMN1; SMN2TP53CES2
SCHEMBL9143119 0.82 CES2 (0.47) NPC1RAB9ASMN1; SMN2TP53CES2
SCHEMBL6878184 0.82 CES2 (0.47) NPC1RAB9ASMN1; SMN2TP53CES2
SCHEMBL10774849 0.82 PTPN1 (0.41) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL9864807 0.82 PTPN1 (0.41) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL9864813 0.82 PTPN1 (0.41) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL11135486 0.77 KMT2A (0.46) NPC1RAB9ASMN1; SMN2TP53CES2

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