SCHEMBL1829987

SCHEMBL1829987

CC(C=O)Cc1ccc(O)c(C(F)(F)F)c1O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ELANE P08246 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MLYCD O95822 1/20 0.32
CTSG P08311 1/20 0.31

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
SCHEMBL1831013 0.82 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL1829702 0.76 TP53 (0.37) TP53TSHRELANEGABRA1GABRB2
SCHEMBL1829639 0.76 TP53 (0.37) TP53TSHRELANEGABRA1GABRB2
SCHEMBL5201451 0.76 PIK3CA (0.31)
Hydrochloric Acid SCHEMBL1828417 0.74 GRM2 (0.41) TP53TSHRELANE
SCHEMBL27711676 0.73
SCHEMBL1830214 0.69 TYR (0.50) TP53TSHR
SCHEMBL5862945 0.69 AHR (0.40) ELANE
SCHEMBL3272345 0.68 TSHR (0.45) TP53TSHRELANEGABRA1GABRB2
SCHEMBL1829709 0.68 GRM2 (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed