SCHEMBL11060198

SCHEMBL11060198

COc1ccc(NC(C(=O)Cl)C(C)C)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
LPAR1 Q92633 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
AHR P35869 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
SCHEMBL11062219 0.87 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11200658 0.87 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11061360 0.81 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5292685 0.76 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11196564 0.74 MMP9 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDCYP1A2
SCHEMBL11196566 0.74 MMP9 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDCYP1A2
SCHEMBL11066625 0.74 KMT2A (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13390943 0.73 ALDH1A1 (0.67) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11132085 0.72 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11066635 0.72 MEN1 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed