SCHEMBL8435136

SCHEMBL8435136

CCCCCCCCCCCC(=O)NC(CC)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPK1 P28482 2/20 0.50
FAAH O00519 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
UGCG Q16739 1/20 0.50
MTOR P42345 1/20 0.50
GMNN O75496 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL8435127 1.00 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL1514267 1.00 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2MEN1
Lactic Acid SCHEMBL427894 0.92 FAAH (0.50) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL10723388 0.89 FAAH (0.58) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL144502 0.87 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL5673619 0.83 FAAH (0.64) ALDH1A1LMNAHTTFAAHTP53
Lactic Acid SCHEMBL344500 0.82 FAAH (0.45) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL718238 0.81 FAAH (0.57) ALDH1A1SMN1; SMN2FAAHTP53CNR1
SCHEMBL29245563 0.81 FAAH (0.57) ALDH1A1SMN1; SMN2FAAHTP53CNR1
SCHEMBL14166869 0.79 ALDH1A1 (0.52) ALDH1A1LMNAHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757560-B1 OPHTHALMIC COMPOSITIONS COMPRISING AMIDOAMINES ALCON LAB INC (US) 1999-12-22 EP disclosed
EP-0757560-A1 USE OF AMIDOAMINES IN OPHTHALMIC COMPOSITIONS ALCON LABORATORIES, INC. (US) 1997-02-12 EP disclosed
US-5573726-A DISINFECTING CONTACT LENSES ALCON LABORATORIES, INC. (US) 1996-11-12 US disclosed
WO-1996026747-A2 USE OF AMIDOAMINES IN OPHTHALMIC COMPOSITIONS ALCON LABORATORIES, INC. (US) 1996-09-06 WO disclosed