SCHEMBL11316966

SCHEMBL11316966

COc1cc(C[C@H](NC(C)=O)C(=O)O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.56
TTR P02766 1/20 0.56
JUN P05412 1/20 0.56
NR3C1 P04150 1/20 0.56
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MME P08473 1/20 0.54
MMP1 P03956 1/20 0.54
CYP3A4 P08684 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
LDHA P00338 1/20 0.51
ALOX5 P09917 1/20 0.51

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
SCHEMBL11316963 1.00 FOS (0.56) FOSTTRJUNNR3C1HSD17B1
Acetic Acid SCHEMBL11318746 0.99 FOS (0.55) FOSTTRJUNNR3C1HSD17B1
Acetic Acid SCHEMBL10426812 0.99 FOS (0.55) FOSTTRJUNNR3C1HSD17B1
Acetic Acid SCHEMBL11682163 0.99 FOS (0.55) FOSTTRJUNNR3C1HSD17B1
SCHEMBL12313521 0.90 FOS (0.57) FOSTTRJUNNR3C1HSD17B1
SCHEMBL3419160 0.89 LDHA (0.66) ALDH1A1MMEALOX15LDHAFPR2
SCHEMBL2516037 0.89 LDHA (0.66) ALDH1A1MMEALOX15LDHAFPR2
SCHEMBL2516039 0.89 LDHA (0.66) ALDH1A1MMEALOX15LDHAFPR2
SCHEMBL5148677 0.88 LDHA (0.52) ALDH1A1GAAALOX15LDHAFPR2
SCHEMBL5148667 0.88 LDHA (0.52) ALDH1A1GAAALOX15LDHAFPR2

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
US-4294989-A OPTICALLY ACTIVE HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1981-10-13 US disclosed
US-4265827-A METHYLCYCOHEXYL-O-ANISYLARSINE OPTICALLY ACTIVE CATALYST MONSANTO COMPANY (US) 1981-05-05 US disclosed
US-4261919-A OF BETA-SUBSTITUTED-ALPHA-ACYLAMIDO-ACRYLIC ACIDS TO YIELD OPTICALLY ACTIVE MIXTURE MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4124533-A HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1978-11-07 US disclosed