SCHEMBL29587977

SCHEMBL29587977

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.37
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ KCNK2 O95069 4/20 0.31
▸ KCNK10 P57789 3/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ MMP14 P50281 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ HNF4A P41235 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
SCHEMBL24393968 1.00 PDE2A (0.37) PDE2AALDH1A1LMNAKCNK2KCNK10
SCHEMBL29588039 0.84 NR4A1 (0.40) PDE2AALDH1A1
SCHEMBL24394138 0.84 NR4A1 (0.40) PDE2AALDH1A1
SCHEMBL26941570 0.81 L3MBTL1 (0.33) ALDH1A1LMNA
SCHEMBL24393967 0.74 PDE2A (0.37) PDE2AALDH1A1LMNAKCNK2KCNK10
SCHEMBL24394123 0.74 CCR2 (0.32) —
SCHEMBL29588392 0.74 CCR2 (0.32) —
SCHEMBL29588742 0.70 PDE2A (0.38) PDE2ALMNAKCNK2KCNK10TRPV1
SCHEMBL26929235 0.68 PDE2A (0.36) PDE2AALDH1A1MMP1MMP2MMP3
SCHEMBL25043524 0.68 NR4A1 (0.46) PDE2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237408-A1 ITACONIC ACID DERIVATIVES Sitryx Therapeutics Limited (GB) 2023-09-06 — — EP disclosed
WO-2022090723-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 — — WO disclosed
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