SCHEMBL7328673

SCHEMBL7328673

COc1cc(CCC(=O)CCc2cc(OC)cc(OC)c2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.56
ALOX5 P09917 2/20 0.51
AKR1B1 P15121 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP19A1 P11511 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL16054397 0.86 KDM4E (0.62) F2RL1AKR1B1NFKB1NFKB2RELA
SCHEMBL490401 0.86 FFAR1 (0.56) F2RL1AKR1B1NFKB1NFKB2RELA
SCHEMBL28012705 0.86 AKR1B1 (0.49) F2RL1AKR1B1NFKB1NFKB2RELA
SCHEMBL16054136 0.84 F2RL1 (0.54) F2RL1ALOX5AKR1B1NFKB1NFKB2
SCHEMBL13574164 0.84 F2RL1 (0.46) F2RL1ALOX5AKR1B1NFKB1NFKB2
SCHEMBL2338537 0.84 AKR1B1 (0.47) F2RL1AKR1B1NFKB1NFKB2RELA
SCHEMBL28397070 0.84 AKR1B1 (0.47) F2RL1AKR1B1NFKB1NFKB2RELA
SCHEMBL5884605 0.84 KMT2A (0.51) F2RL1AKR1B1NFKB1NFKB2RELA
SCHEMBL7332474 0.81 TAAR1 (0.61) F2RL1RAB9A
SCHEMBL11422604 0.81 HDAC1 (0.56) HSD17B1HSD17B2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
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
US-4647446-A Rapid brain scanning radiopharmaceutical THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1987-03-03 US disclosed