SCHEMBL23112798

SCHEMBL23112798

CCCCCCCCCCCC(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.55
▸ THRA P10827 1/20 0.52
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ STS P08842 4/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29766264 1.00 HSD17B3 (0.55) HSD17B3THRAHDAC1HDAC8STS
SCHEMBL4953757 0.84 HDAC1 (0.68) HSD17B3THRAHDAC1HDAC8STS
SCHEMBL12952426 0.84 HDAC1 (0.68) HSD17B3THRAHDAC1HDAC8STS
SCHEMBL31186967 0.84 HSD17B3 (0.71) HSD17B3THRASTSALDH1A1
SCHEMBL10832302 0.84 HSD17B3 (0.71) HSD17B3THRASTSALDH1A1
SCHEMBL7905138 0.84 HSD17B3 (0.71) HSD17B3THRASTSALDH1A1
SCHEMBL6345972 0.83 HSD17B3 (0.61) HSD17B3THRAHDAC1HDAC8STS
SCHEMBL4087986 0.83 HSD17B3 (0.71) HSD17B3THRAHDAC1HDAC8STS
SCHEMBL6341409 0.83 HSD17B3 (0.61) HSD17B3THRAHDAC1HDAC8STS
SCHEMBL12065064 0.83 SMN1; SMN2 (0.67) HSD17B3THRAHDAC1HDAC8NPC1

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 4 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
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
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