SCHEMBL28649114

SCHEMBL28649114

CCCOC(=O)C(CCC)C(=O)OCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ CTSK P43235 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ PTGES O14684 1/20 0.44
▸ ALOX5 P09917 1/20 0.44

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
SCHEMBL31147040 0.91 TDP1 (0.54) LMNACTSKSMN1; SMN2NPC1RECQL
SCHEMBL28558860 0.90 TDP1 (0.52) LMNACTSKTDP1MAPK1L3MBTL1
SCHEMBL28912882 0.88 TDP1 (0.51) LMNACTSKTDP1MAPTMAPK1
SCHEMBL28557158 0.88 TDP1 (0.51) LMNACTSKTDP1MAPTMAPK1
SCHEMBL16732283 0.88 LMNA (0.50) LMNACTSKSMN1; SMN2TDP1ALDH1A1
SCHEMBL19105279 0.88 CTSK (0.52) LMNACTSKSMN1; SMN2NPC1RAB9A
SCHEMBL28647838 0.87 CTSK (0.55) LMNACTSKSMN1; SMN2NPC1RECQL
SCHEMBL28557093 0.87 CTSK (0.54) LMNACTSKSMN1; SMN2NPC1RECQL
SCHEMBL28912222 0.85 CTSK (0.53) LMNACTSKTDP1ALDH1A1CYP3A4
SCHEMBL16732115 0.85 TDP1 (0.52) LMNACTSKSMN1; SMN2NPC1RAB9A

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
CN-109678997-B Catalyst component and catalyst for olefin polymerization, prepolymerized catalyst and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 — — CN disclosed
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