SCHEMBL8501932

SCHEMBL8501932

CCCCCOC(=O)CCC(NC(C)=O)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 4/20 0.43
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
PLA2G2A P14555 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8504795 0.89 CYSLTR2 (0.53) MEN1ALDH1A1HPGDKMT2AACACB
SCHEMBL8504440 0.85 KMT2A (0.50) MEN1ALDH1A1HPGDKMT2AACACB
SCHEMBL8506161 0.79 MEN1 (0.44) MEN1ALDH1A1HPGDKMT2ACYSLTR2
SCHEMBL8502032 0.78 HSD17B3 (0.45) MEN1ALDH1A1HPGDKMT2APLA2G2A
SCHEMBL11255781 0.72 TSHR (0.47) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL8501935 0.72 EPHX2 (0.39) ALDH1A1HPGDEPHX2LMNARAB9A
SCHEMBL11255780 0.71 P2RY10 (0.52) EPHX2
SCHEMBL6571652 0.70 NPC1 (0.51) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL9773153 0.70 NPC1 (0.62) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL9773152 0.70 NPC1 (0.62) ALDH1A1NPC1LMNARAB9ASMN1; SMN2

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-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed