SCHEMBL9549594

SCHEMBL9549594

CCCCCCCCCCCCCCCCCCOCCC[N+](CC)(CCCCCCCCCCCCCCCC)CCCCN1CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ DNM1 Q05193 4/20 0.36
▸ ADRA1B P35368 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ PGK1 P00558 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL9549277 0.88 GAA (0.38) ALOX5GAADNM1MEN1KMT2A
Hydrochloric Acid SCHEMBL9549546 0.86 GAA (0.37) ALOX5GAADNM1ALDH1A1
SCHEMBL9127020 0.86 GAA (0.43) ALOX5GAAADRA1BSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL9549185 0.85 GAA (0.38) ALOX5GAASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9549183 0.85 GAA (0.39) ALOX5GAASMN1; SMN2RAB9APGK1
Hydrochloric Acid SCHEMBL9549288 0.84 GAA (0.38) ALOX5GAAALDH1A1
Hydrochloric Acid SCHEMBL9549464 0.84 GAA (0.38) ALOX5GAAALDH1A1
SCHEMBL9549299 0.83 GAA (0.36) ALOX5GAASMN1; SMN2PGK1MEN1
SCHEMBL9654485 0.83 GAA (0.43) ALOX5GAAADRA1BSMN1; SMN2RAB9A
SCHEMBL9548987 0.82 GAA (0.38) ALOX5GAAKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288515-B1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS ISP INVESTMENTS INC. (US) 1993-05-05 — — EP disclosed
EP-0288515-A4 QUATERNIZED NITROGEN CONTAINING COMPOUNDS — 1990-09-26 — — EP disclosed
US-4830850-A CONDITIONERS, SOFTENERS, PRESERVATIVES GAF CORPORATION (US) 1989-05-16 — — US disclosed
EP-0288515-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS. GAF CORP (US) 1988-11-02 — — EP disclosed
WO-1988002985-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS GAF CORPORATION (US) 1988-05-05 — — WO disclosed
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