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Sugi Predict / Compounds / SCHEMBL25907712

SCHEMBL25907712

SCHEMBL25907712

CCCCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc(N(c3ccc(C(C)CC)cc3)c3ccc(N(c4ccc(CCCC)cc4)c4ccc(C(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UCHL3 P15374 2/20 0.45
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12018269 1.00 UCHL3 (0.45) UCHL3CA1CA2CNR2HTR2A
SCHEMBL15854779 0.89 CA1 (0.40) UCHL3CA1CA2CNR2HTR2A
SCHEMBL13475017 0.89 HTR2A (0.47) CA1CA2HTR2AALDH1A1HPGD
SCHEMBL13474932 0.88 NPC1 (0.41) UCHL3CA1CA2HTR2AALDH1A1
SCHEMBL919089 0.87 UCHL3 (0.53) UCHL3CA1CA2CNR2HTR2A
SCHEMBL258104 0.87 UCHL3 (0.53) UCHL3CA1CA2CNR2HTR2A
SCHEMBL13474954 0.87 SMN1; SMN2 (0.43) CA1CA2ALDH1A1HPGDNPC1
SCHEMBL10977710 0.87 CA2 (0.47) UCHL3CA1CA2HTR2AALDH1A1
SCHEMBL13474958 0.85 UCHL3 (0.41) UCHL3CA1CA2CNR2HSD17B10
SCHEMBL18494830 0.85 HSD11B1 (0.43) UCHL3CA1CA2HTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227934-B1 ORGANIC LIGHT-EMITTING DEVICE CAMBRIDGE DISPLAY TECH LTD (GB) 2023-08-02 — — EP disclosed