SCHEMBL29588039

SCHEMBL29588039

CC(=CC(=O)OC1(c2ccc(C(F)(F)F)cc2)CCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ APP P05067 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ PDE2A O00408 3/20 0.34
▸ SLC6A3 Q01959 5/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ BACE1 P56817 1/20 0.32
▸ P2RY14 Q15391 2/20 0.32

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
SCHEMBL24394138 1.00 NR4A1 (0.40) NR4A1NR4A2NR4A3OPRM1OPRL1
SCHEMBL29587977 0.84 PDE2A (0.37) PDE2AALDH1A1
SCHEMBL24393968 0.84 PDE2A (0.37) PDE2AALDH1A1
SCHEMBL26941570 0.84 L3MBTL1 (0.33) OPRM1ALDH1A1
SCHEMBL25043524 0.82 NR4A1 (0.46) NR4A1NR4A2NR4A3OPRM1OPRL1
SCHEMBL24616758 0.81 APP (0.37) NR4A1NR4A2NR4A3OPRM1OPRL1
SCHEMBL24616782 0.80 ALDH1A1 (0.42) OPRM1OPRL1APPTHRBPDE2A
SCHEMBL25564144 0.78 SLC6A3 (0.43) NR4A1NR4A2NR4A3OPRM1OPRL1
SCHEMBL25564245 0.77 SLC6A3 (0.46) NR4A1NR4A2NR4A3OPRM1OPRL1
SCHEMBL29588392 0.76 CCR2 (0.32) —

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-4359390-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS Sitryx Therapeutics Limited (GB) 2024-05-01 — — EP disclosed
EP-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 — — EP disclosed
EP-4237408-A1 ITACONIC ACID DERIVATIVES Sitryx Therapeutics Limited (GB) 2023-09-06 — — EP disclosed
WO-2022269251-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2022-12-29 — — WO disclosed
WO-2022090723-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 — — WO disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 — — WO disclosed
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