SCHEMBL9753038

SCHEMBL9753038

COC(=O)c1ccc2c(C(C)C)c(CO)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.47
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.36
GABRA5 P31644 3/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TGFBR1 P36897 2/20 0.35
TGFBR2 P37173 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CA12 O43570 1/20 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
SCHEMBL9753687 0.83 ALDH1A1 (0.39) GCGRALDH1A1KDM4EGAAALOX15
SCHEMBL9753282 0.81 CACNA1F (0.46) GCGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9753309 0.81 MAPK14 (0.43) GCGRTGFBR1TGFBR2
SCHEMBL9753771 0.81 GCGR (0.40) GCGRTGFBR1TGFBR2
SCHEMBL27438907 0.81 ALDH1A1 (0.37) GCGRALDH1A1KDM4EGAAALOX15
SCHEMBL9753310 0.81 ALDH1A1 (0.37) GCGRALDH1A1KDM4EGAAALOX15
SCHEMBL9753336 0.80 MAPK14 (0.42) GCGRTGFBR1TGFBR2
SCHEMBL9752952 0.80 GCGR (0.39) GCGRTGFBR1TGFBR2
SCHEMBL9752950 0.80 GABRA5 (0.34) GCGRALDH1A1LMNAGABRA5MAPT
SCHEMBL9753125 0.79 GCGR (0.37) GCGR

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed