SCHEMBL28878766

SCHEMBL28878766

CCC(Br)C(=O)c1ccc2c(c1)Cc1cc(C(=O)c3ccccc3C)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ MAPK13 O15264 2/20 0.38
▸ MAPK12 P53778 2/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ CTNNB1 P35222 3/20 0.37
▸ WNT3A P56704 3/20 0.37
▸ HSD17B1 P14061 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 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
SCHEMBL21025037 0.81 SRD5A2 (0.60) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL21183194 0.78 RAB9A (0.46) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL21025427 0.78 RAB9A (0.41) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL7930941 0.76 MAPT (0.53) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL28878832 0.75 RAB9A (0.43) NPC1RAB9AMAPTALDH1A1SRD5A2
SCHEMBL29975320 0.75 RAB9A (0.43) NPC1RAB9AMAPTALDH1A1SRD5A2
SCHEMBL21025033 0.72 ALDH1A1 (0.43) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL21183193 0.70 ALDH1A1 (0.45) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL21025031 0.70 ALDH1A1 (0.47) NPC1RAB9AALDH1A1HTTMAPK13
SCHEMBL1023704 0.69 TAS1R3 (0.49) NPC1MAPTALDH1A1HTTMEN1

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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