SCHEMBL12466271

SCHEMBL12466271

Nc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
PRKCZ Q05513 1/20 0.47
RORB Q92753 5/20 0.46
RORC P51449 4/20 0.46
ADORA2A P29274 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KMO O15229 2/20 0.44
CFTR P13569 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
KIF11 P52732 1/20 0.43

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
SCHEMBL3980569 0.88 ADORA1 (0.61) ADORA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL28599809 0.83 PRKCZ (0.48) HSD17B10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3972275 0.83 RORB (0.49) ADORA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3974980 0.82 ALDH1A1 (0.65) HSD17B10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12465745 0.82 HSD17B10 (0.51) HSD17B10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1799330 0.79 KMT2A (0.69) HSD17B10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4932598 0.79 HSD17B10 (0.51) HSD17B10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12466203 0.79 HSD17B10 (0.51) ADORA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6926065 0.78 MPL (0.50) HSD17B10ALDH1A1KDM4EHPGDPRKCZ
SCHEMBL27729284 0.78 HSD17B10 (0.50) HSD17B10ALDH1A1MEN1KMT2ALMNA

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-2012100732-A1 RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS, COMPOSITION CONTAINING THEM AND USES THEREOF GLAXO GROUP LIMITED (GB) 2012-08-02 WO disclosed