SCHEMBL10412985

SCHEMBL10412985

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.62
TTR P02766 1/20 0.62
JUN P05412 1/20 0.62
NR3C1 P04150 1/20 0.62
HSD17B1 P14061 1/20 0.62
HSD17B2 P37059 1/20 0.62
CYP3A4 P08684 2/20 0.59
MMP1 P03956 1/20 0.59
ALOX15 P16050 2/20 0.57
ALOX12 P18054 2/20 0.57
TAAR1 Q96RJ0 2/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
NFKB1 P19838 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX5 P09917 2/20 0.52

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
SCHEMBL10412984 1.00 FOS (0.62) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4624766 0.86 LDHA (0.57) CYP3A4ALOX15ALOX12LMNAALDH1A1
SCHEMBL3388461 0.86 LDHA (0.57) CYP3A4ALOX15ALOX12LMNAALDH1A1
SCHEMBL3388456 0.86 LDHA (0.57) CYP3A4ALOX15ALOX12LMNAALDH1A1
3-O-Methyl-Alpha-Methyldopamine SCHEMBL9434236 0.81 FOS (0.75) FOSTTRJUNNR3C1HSD17B1
3-O-Methyl-Alpha-Methyldopamine SCHEMBL28514447 0.81 FOS (0.75) FOSTTRJUNNR3C1HSD17B1
3-O-Methyl-Alpha-Methyldopamine SCHEMBL9434243 0.81 FOS (0.75) FOSTTRJUNNR3C1HSD17B1
SCHEMBL5311684 0.80 ALOX15 (0.59) FOSTTRJUNNR3C1HSD17B1
SCHEMBL849960 0.80 ALOX15 (0.59) FOSTTRJUNNR3C1HSD17B1
SCHEMBL11136069 0.80 ALOX15 (0.59) FOSTTRJUNNR3C1HSD17B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4970297-A CONTAINING ISOXAZOLE RING SYNTEX (U.S.A.) INC. (US) 1990-11-13 US disclosed