SCHEMBL9681735

SCHEMBL9681735

CCCCN(CCCC)C(C)(C)C(=O)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MLYCD O95822 2/20 0.36
MAPT P10636 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PDK2 Q15119 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL9315354 0.87 CES1 (0.46) HPGDALDH1A1GAAHDAC1HDAC6
SCHEMBL18883179 0.86 MAOB (0.48) ALOX5LMNAHDAC1
SCHEMBL727211 0.84 TSHR (0.43) HPGDALDH1A1GAALMNAMLYCD
SCHEMBL11208601 0.84 ALDH1A1 (0.48) HPGDALDH1A1GAALMNAHDAC1
SCHEMBL9679941 0.82 ALDH1A1 (0.46) HPGDALDH1A1GAAL3MBTL1LMNA
SCHEMBL10384767 0.79 HPGD (0.56) HPGDALDH1A1GAAL3MBTL1LMNA
SCHEMBL10384758 0.78 HDAC3 (0.45) HPGDALDH1A1GAAMMP2HDAC1
SCHEMBL15935745 0.78 ALDH1A1 (0.47) HPGDALDH1A1L3MBTL1LMNAMMP1
SCHEMBL14396097 0.78 HPGD (0.47) HPGDALDH1A1GAAL3MBTL1LMNA
SCHEMBL10887604 0.77 THRA (0.39) HPGDALDH1A1GAAL3MBTL1LMNA

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
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed