SCHEMBL23112792

SCHEMBL23112792

CCCCCCCCCCCC(=O)c1ccc2cc(N(C)CC(=O)O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
HSD17B3 P37058 6/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
STS P08842 4/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G2A P14555 1/20 0.41

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
SCHEMBL29766328 1.00 THRA (0.51) THRAHSD17B3HDAC1HDAC8STS
SCHEMBL13901740 1.00 THRA (0.51) THRAHSD17B3HDAC1HDAC8STS
SCHEMBL24212479 0.87 THRA (0.51) THRAHSD17B3HDAC1HDAC8STS
SCHEMBL30323029 0.85 THRA (0.56) THRAHSD17B3HDAC1HDAC8STS
SCHEMBL1554210 0.85 THRA (0.56) THRAHSD17B3HDAC1HDAC8STS
SCHEMBL29365961 0.85 THRA (0.56) THRAHSD17B3HDAC1HDAC8STS
SCHEMBL592846 0.85 THRA (0.56) THRAHSD17B3HDAC1HDAC8STS
SCHEMBL28490497 0.85 THRA (0.53) THRAHSD17B3HDAC1HDAC8STS
Propane SCHEMBL9297674 0.84 THRA (0.55) THRAHSD17B3HDAC1HDAC8STS
SCHEMBL23112785 0.83 THRA (0.49) THRAHSD17B3HDAC1HDAC8STS

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-4034603-B1 FLUORESCENT PROBE AND APPLICATIONS THEREOF CENTRE NAT RECH SCIENT (FR) 2026-02-11 EP disclosed
US-20220390458-A1 FLUORESCENT PROBE AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-12-08 US disclosed
EP-4034603-A2 FLUORESCENT PROBE AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-08-03 EP disclosed
WO-2022011508-A1 SYSTEMS AND METHODS FOR PRESSURE MEASUREMENT JILIN UNIVERSITY (CN) 2022-01-20 WO disclosed
WO-2021058490-A2 FLUORESCENT PROBE AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-04-01 WO disclosed
EP-3795643-A1 FLUORESCENT PROBE AND APPLICATIONS THEREOF Centre National de la Recherche Scientifique (FR) 2021-03-24 EP disclosed