SCHEMBL11218412

SCHEMBL11218412

COc1c(C)ccc(C(=O)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.40
HAAO P46952 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
MYC P01106 1/20 0.38
NOTUM Q6P988 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL6646160 0.86 TDP1 (0.52) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL1919502 0.84 TDP1 (0.50) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL2425023 0.82 MAPT (0.68) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL2059405 0.82 TDP1 (0.53) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL17371291 0.82 TDP1 (0.68) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL30466426 0.82 MAPT (0.68) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL979782 0.81 HSD17B10 (0.51) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL2081501 0.81 TDP1 (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL2429962 0.81 TDP1 (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL5832803 0.81 TDP1 (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E

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
EP-0093488-A2 Nortropyl benzopyrrolinone compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-11-09 EP disclosed