SCHEMBL12066784

SCHEMBL12066784

O=C(NCc1ccc(Cl)s1)c1cc(O)c2cc(C3C=COC3)cc(C(F)(F)F)c2n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B13 Q7Z5P4 2/20 0.32
▸ UTS2R Q9UKP6 1/20 0.31
▸ PRSS12 P56730 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL10215323 0.82 SCD (0.41) SCDNPSR1HSD17B13PRSS12HPGD
SCHEMBL12068101 0.80 RAB9A (0.40) HSD17B13HPGDTSHR
SCHEMBL10215325 0.77 SCD (0.40) SCDNPSR1HSD17B13PRSS12HPGD
SCHEMBL10216308 0.76 SCD (0.42) SCDNPSR1HSD17B13PRSS12HPGD
SCHEMBL10215314 0.76 SCD (0.42) SCDNPSR1
SCHEMBL12068100 0.76 KDM4E (0.44) NPSR1HPGDTSHR
SCHEMBL12068693 0.73 PTGES (0.38) HPGDTSHR
SCHEMBL12068644 0.69 ALDH1A1 (0.41) SCDHPGDTSHR
SCHEMBL10216317 0.65 RAB9A (0.52) HPGD
SCHEMBL12066540 0.64 RBP4 (0.35) —

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-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 — — WO disclosed
Send feedback