SCHEMBL7367030

SCHEMBL7367030

Cc1ccccc1CCC(C(=O)O)C1CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.42
PTGFR P43088 1/20 0.42
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
FFAR1 O14842 2/20 0.36
HPGD P15428 1/20 0.35
CTBP2 P56545 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7363860 0.84 PTGER1 (0.42) PTGER1PTGFRALDH1A1TAAR1CYP1A2
SCHEMBL7368285 0.83 PTGFR (0.45) PTGFRTAAR1MEN1KMT2A
SCHEMBL7368270 0.82 GRM2 (0.52) ALDH1A1TDP1S1PR5CYP1A2KMT2A
SCHEMBL7361669 0.81 SMN1; SMN2 (0.42) PTGFRALDH1A1TDP1S1PR1S1PR5
SCHEMBL7365439 0.80 HRH1 (0.43) ALDH1A1FFAR1PPARA
SCHEMBL7400111 0.79 GRM2 (0.52) ALDH1A1POLBTAAR1CYP1A2FFAR1
SCHEMBL7366774 0.78 GRM2 (0.48) PTGER1PTGFRTAAR1FFAR1
SCHEMBL7360104 0.76 CYP1A2 (0.46) CYP1A2
SCHEMBL7401586 0.76 SLC7A5 (0.38) ALDH1A1POLBCYP1A2MEN1KMT2A
SCHEMBL7361069 0.76 CYP1A2 (0.45) ALDH1A1TAAR1CYP1A2MEN1KMT2A

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