SCHEMBL8337930

SCHEMBL8337930

CCCCCCCCCCCCN(CC(=O)OC)CC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 5/20 0.47
▸ POLB P06746 1/20 0.44
▸ POLA1 P09884 1/20 0.44
▸ PHF8 Q9UPP1 2/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ EPHX1 P07099 3/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ ICMT O60725 2/20 0.41
▸ ALB P02768 2/20 0.41
▸ DNM1 Q05193 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ NAAA Q02083 1/20 0.39
▸ DGKA P23743 1/20 0.39
▸ ZDHHC7 Q9NXF8 1/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL63203 1.00 KDM5A (0.47) KDM5APOLBPOLA1PHF8KDM4C
SCHEMBL14435158 1.00 KDM5A (0.47) KDM5APOLBPOLA1PHF8KDM4C
SCHEMBL10993948 0.96 KDM5A (0.45) KDM5APOLBPOLA1PHF8KDM4C
SCHEMBL16922399 0.96 KDM5A (0.47) KDM5APOLBPOLA1PHF8KDM4C
SCHEMBL19032474 0.96 KDM5A (0.47) KDM5APOLBPOLA1PHF8KDM4C
SCHEMBL15880164 0.96 KDM5A (0.47) KDM5APOLBPOLA1PHF8KDM4C
SCHEMBL8335342 0.96 KDM5A (0.47) KDM5APOLBPOLA1PHF8KDM4C
SCHEMBL19032444 0.96 KDM5A (0.47) KDM5APOLBPOLA1PHF8KDM4C
Hydrochloric Acid SCHEMBL27082309 0.94 KDM5A (0.46) KDM5APOLBPOLA1PHF8KDM4C
SCHEMBL19032377 0.92 KDM5A (0.45) KDM5APOLBPOLA1PHF8KDM4C

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
US-5958870-A AN AQUEOUS, STORAGE-STABLE, ACIDIC COMPOSITION OF A LONG ALKYL-CONTAINING BETAINE ESTER OF A FRAGRANCE OR PERFUME ALCOHOL IN THE FORM OF MICELLES; FABRIC SOFTENERS; LAUNDERING; HYDROPHOBIC THE PROCTER & GAMBLE COMPANY (US) 1999-09-28 — — US disclosed
EP-0799885-A1 Betaine ester compounds of active alcohols THE PROCTER & GAMBLE COMPANY (US) 1997-10-08 — — EP disclosed
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