SCHEMBL11570799

SCHEMBL11570799

CC(O)CN(CC(C)O)c1ccc(C(=O)c2ccc(N(CC(C)O)CC(C)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
LMNA P02545 2/20 0.40
ABCB1 P08183 1/20 0.40
ELANE P08246 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SRD5A2 P31213 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4540287 0.93 RAB9A (0.56) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL11570608 0.90 ALDH1A1 (0.42) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL7145665 0.87 TAS2R14 (0.46) HPGDALDH1A1MAPTNPC1CRHBP
SCHEMBL12765216 0.86 HPGD (0.52) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL9640951 0.83 ALDH1A1 (0.53) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL25807500 0.82 TSHR (0.49) HPGDALDH1A1MAPTRAB9ANPC1
Roxadimate SCHEMBL15518 0.80 CA12 (0.53) HPGDALDH1A1MAPTRAB9ANPC1
Roxadimate SCHEMBL6851586 0.80 CA12 (0.53) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL31010261 0.78 TYR (0.40) ALDH1A1MAPTCRHBPCRHR2TLR9
SCHEMBL83496 0.78 CYP2C19 (0.44) ALDH1A1RAB9ACRHBPCRHR2TLR9

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-4147604-A PRINTING INKS, COATINGS, PRINTING PLATES BASF AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed