SCHEMBL9832364

SCHEMBL9832364

CCc1nc(-c2ccc(Cl)cc2)oc1COC(C)(CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
TARBP2 Q15633 1/20 0.42
PPARA Q07869 7/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 5/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
SLC16A3 O15427 3/20 0.36
SLC16A1 P53985 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL9833217 0.89 HSD17B10 (0.44) HSD17B10TARBP2PPARAPPARGPPARD
SCHEMBL9831297 0.89 SLC16A3 (0.47) HSD17B10TARBP2PPARAPPARGPPARD
SCHEMBL10708196 0.88 PPARD (0.47) HSD17B10TARBP2PPARAPPARGPPARD
SCHEMBL10712401 0.76 ALDH1A1 (0.49) HSD17B10TARBP2PPARAPPARGPPARD
Romazarit SCHEMBL43265 0.74 ALDH1A1 (0.50) HSD17B10TARBP2PPARAPPARGPPARD
SCHEMBL9834911 0.74 HSD17B10 (0.48) HSD17B10TARBP2PPARAALDH1A1LMNA
Romazarit SCHEMBL3226211 0.74 ALDH1A1 (0.49) HSD17B10TARBP2PPARAPPARGPPARD
SCHEMBL11120501 0.72 PPARA (0.49) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL9830013 0.72 PPARA (0.57) HSD17B10TARBP2PPARAPPARGPPARD
SCHEMBL12344817 0.72 KDM4E (0.55) HSD17B10TARBP2PPARAALDH1A1LMNA

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-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP claimed