SCHEMBL9832600

SCHEMBL9832600

CCOC(=O)C(C)(C)OCc1oc(-c2ccc(Cl)cc2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 3/20 0.51
PPARA Q07869 4/20 0.48
TSHR P16473 2/20 0.48
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 2/20 0.44
PPARD Q03181 4/20 0.43
PPARG P37231 3/20 0.43
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
IKBKB O14920 1/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL9830393 0.90 ALDH1A1 (0.54) TARBP2PPARAALDH1A1LMNAHSD17B10
Romazarit SCHEMBL43265 0.87 ALDH1A1 (0.50) TARBP2PPARAALDH1A1LMNAHSD17B10
SCHEMBL9831640 0.86 ALDH1A1 (0.49) TARBP2PPARAALDH1A1LMNAHSD17B10
Romazarit SCHEMBL3226211 0.86 ALDH1A1 (0.49) TARBP2PPARAALDH1A1LMNAHSD17B10
Romazarit SCHEMBL9831287 0.85 ALDH1A1 (0.48) TARBP2PPARAALDH1A1LMNAHSD17B10
SCHEMBL10708196 0.82 PPARD (0.47) TARBP2PPARAALDH1A1LMNAHSD17B10
SCHEMBL10712401 0.81 ALDH1A1 (0.49) TARBP2PPARAALDH1A1LMNAHSD17B10
SCHEMBL10746500 0.78 TARBP2 (0.49) TARBP2PPARAALDH1A1LMNAHSD17B10
SCHEMBL9831297 0.76 SLC16A3 (0.47) TARBP2PPARACYP1A2CYP3A4ALDH1A1
SCHEMBL9830056 0.76 PPARA (0.50) TARBP2PPARACYP1A2CYP3A4ALDH1A1

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 3 patents. 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
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US claimed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US disclosed