SCHEMBL9308475

SCHEMBL9308475

CCCCC(CC)CN(CC(CC)CCCC)C(=O)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TRPM8 Q7Z2W7 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA2 P00918 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL5147112 0.86 ALDH1A1 (0.38) NPC1RAB9ATRPM8ALDH1A1CA2
SCHEMBL9308145 0.80 CNR2 (0.50) ALDH1A1CA2CYP3A4TDP1MEN1
SCHEMBL9309350 0.79 NPC1 (0.59) NPC1RAB9ATRPM8SMN1; SMN2ALOX5
SCHEMBL3993998 0.78 CYP3A4 (0.44) ALDH1A1CA2CYP3A4TDP1TSHR
SCHEMBL15015867 0.77 ALDH1A1 (0.46) NPC1RAB9AALDH1A1CA2CYP3A4
SCHEMBL31079840 0.77 CYP3A4 (0.42) ALDH1A1CA2CYP3A4TDP1TSHR
SCHEMBL9307909 0.76 CA2 (0.47) ALDH1A1CA2CYP3A4SMN1; SMN2TDP1
SCHEMBL15016331 0.76 ALDH1A1 (0.45) NPC1RAB9AALDH1A1CA2CYP3A4
SCHEMBL14884447 0.76 CYP3A4 (0.40) ALDH1A1CA2CYP3A4TDP1TSHR
SCHEMBL9306882 0.76 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAKDM4E

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
US-20200131335-A1 SURFACE ACTIVE ADJUVANT RHODIA OPERATIONS (FR) 2020-04-30 US disclosed
EP-3612604-A1 SURFACE ACTIVE ADJUVANT Rhodia Operations (FR) 2020-02-26 EP disclosed
WO-2018193009-A1 SURFACE ACTIVE ADJUVANT RHODIA OPERATIONS (FR) 2018-10-25 WO disclosed
US-5328884-A Salicylic acid salt,and amide or sulfonamide as developer KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-07-12 US disclosed
US-5250108-A Mixture of salicylic acid salt, amide and sulfonamide compounds KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1993-10-05 US disclosed