SCHEMBL29973341

SCHEMBL29973341

C=C(Cc1nc(C2(c3ccc(OC(F)(F)F)cc3)CC2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE2A O00408 8/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ SLC6A4 P31645 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ SLC6A3 Q01959 1/20 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
SCHEMBL23578229 0.93 MEN1 (0.34) S1PR1MAPTPKMXBP1MEN1
SCHEMBL23578242 0.89 KMT2A (0.36) MAPTMEN1KMT2AHTTLMNA
SCHEMBL23588264 0.89 MEN1 (0.36) MAPTPKMXBP1MEN1KMT2A
SCHEMBL23578490 0.88 KMT2A (0.37) MAPTMEN1KMT2AHTTLMNA
SCHEMBL23588198 0.88 CRHBP (0.35) MAPTMEN1KMT2AHTTPDE2A
SCHEMBL25801899 0.88 KMT2A (0.35) MAPTMEN1KMT2AHTTPDE2A
SCHEMBL25801800 0.87 KMT2A (0.46) MAPTMEN1KMT2AHTTLMNA
SCHEMBL23578431 0.87 S1PR1 (0.39) S1PR1MAPTPKMXBP1MEN1
SCHEMBL25223995 0.87 S1PR1 (0.36) S1PR1MAPTPKMXBP1MEN1
SCHEMBL23588153 0.86 MEN1 (0.37) MAPTMEN1KMT2AHTTLMNA

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-4081511-B3 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2026-03-04 — — EP disclosed
EP-4192821-A1 ALPHA,BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2023-06-14 — — EP disclosed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 — — EP disclosed
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