SCHEMBL9549393

SCHEMBL9549393

CCCCCCCCCCNC(=O)c1ccccc1N(CCCC)c1ccccc1C(=O)NCCCCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.63
▸ TSHR P16473 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ HPGD P15428 2/20 0.57
▸ ALOX5 P09917 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HCRTR1 O43613 1/20 0.49
▸ ALOX15 P16050 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL9549318 0.86 NAAA (0.67) NAAATSHRHTTHPGDALOX5
SCHEMBL11089468 0.83 HTT (0.86) NAAATSHRHTTHPGDALOX5
SCHEMBL11078107 0.83 HTT (0.86) NAAATSHRHTTHPGDALOX5
SCHEMBL9260536 0.83 HTT (0.86) NAAATSHRHTTHPGDALOX5
SCHEMBL5362359 0.83 HTT (0.86) NAAATSHRHTTHPGDALOX5
SCHEMBL21827062 0.83 TSHR (0.69) NAAATSHRHTTHPGDALDH1A1
SCHEMBL9417671 0.81 NAAA (0.60) NAAATSHRHTTHPGDALOX5
SCHEMBL9172389 0.79 NAAA (0.58) NAAATSHRHTTHPGDALOX5
SCHEMBL23610299 0.78 HTT (0.75) NAAATSHRHTTHPGDALDH1A1
SCHEMBL13310254 0.78 NAAA (0.72) NAAATSHRHTTHPGDALDH1A1

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-4837013-A VISCOSITY ENHANCING AND HAIR CONDITIONING PROPERTIES GAF CORPORATION (US) 1989-06-06 — — 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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