SCHEMBL29975320

SCHEMBL29975320

CCC(Br)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(=O)OC)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HSD17B1 P14061 1/20 0.39
▸ SRD5A2 P31213 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ DRD2 P14416 3/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL28878832 1.00 RAB9A (0.43) RAB9AMAPTNPC1HSD17B1SRD5A2
SCHEMBL28878866 0.76 KDM4E (0.42) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL29975105 0.76 KDM4E (0.42) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL28878766 0.75 NPC1 (0.40) RAB9AMAPTNPC1HSD17B1SRD5A2
SCHEMBL19935903 0.74 RAB9A (0.54) RAB9AMAPTNPC1HSD17B1SRD5A2
SCHEMBL14893388 0.69 MAPT (0.50) RAB9AMAPTALDH1A1KDM4EHPGD
SCHEMBL29851592 0.69 SRD5A2 (0.57) RAB9AMAPTNPC1HSD17B1SRD5A2
SCHEMBL25569789 0.69 MAPT (0.35) MAPTNPC1ALDH1A1KDM4EHPGD
SCHEMBL19936078 0.69 SRD5A2 (0.57) RAB9AMAPTNPC1HSD17B1SRD5A2
SCHEMBL25569825 0.69 MAPT (0.35) MAPTNPC1ALDH1A1KDM4EGAA

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
CN-115151591-B Composition, cured product, and method for producing cured product 株式会社艾迪科 2024-03-01 — — CN disclosed
CN-115151591-A Composition, cured product, and method for producing cured product 株式会社艾迪科 2022-10-04 — — CN disclosed
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