SCHEMBL21044208

SCHEMBL21044208

CCC1=C(C(=O)O)NC(C(=O)O)=CC1(CC)c1ccc(Cl)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.32
▸ CCR2 P41597 2/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ FPR2 P25090 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ GRIA2 P42262 1/20 0.30
▸ GRIA4 P48058 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
SCHEMBL21044282 0.88 ALDH1A1 (0.39) HTT
SCHEMBL21044365 0.88 HCAR3 (0.34) TSHR
SCHEMBL21044304 0.85 SRD5A2 (0.34) HTTGRIA2GRIA4
SCHEMBL21044578 0.85 CA1 (0.36) TSHRHTTGRIA2GRIA4
SCHEMBL21044302 0.84 GRIA2 (0.36) HTTGRIA2GRIA4
SCHEMBL21044572 0.81 HCAR3 (0.35) —
SCHEMBL21044397 0.80 ALDH1A1 (0.40) TSHR
SCHEMBL21044362 0.79 PTGDR (0.38) TSHRHTT
SCHEMBL21044478 0.74 HCAR2 (0.34) —
SCHEMBL21044535 0.72 — —

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-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 — — EP claimed
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