SCHEMBL7362412

SCHEMBL7362412

COc1ccc(OC)c(CCC(C(=O)O)C2CC2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ADRA1A P35348 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
AOC3 Q16853 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7368285 0.84 PTGFR (0.45) MEN1KMT2AMTNR1AMTNR1BTAAR1
SCHEMBL7360786 0.82 LDHA (0.47) MEN1KMT2AKDM4EALDH1A1
SCHEMBL7362960 0.80 GRM2 (0.55) MEN1KMT2AMTNR1AMTNR1BTAAR1
SCHEMBL7369261 0.79 ALDH1A1 (0.41) MEN1KMT2ACA1CA2CA12
SCHEMBL3660479 0.78 HSD17B10 (0.62) HSD17B10MEN1KMT2AMTNR1AMTNR1B
SCHEMBL3659269 0.75 HSD17B10 (0.57) HSD17B10MEN1KMT2AMTNR1AMTNR1B
SCHEMBL3659272 0.75 HSD17B10 (0.57) HSD17B10MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7363860 0.73 PTGER1 (0.42) TAAR1ALDH1A1
SCHEMBL7362413 0.72 ADRA1A (0.42) HSD17B10MEN1KMT2AADRA1ANPSR1
SCHEMBL8491915 0.71 GRM2 (0.67) HSD17B10ADRA1ATAAR1

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-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed