SCHEMBL8646599

SCHEMBL8646599

COC=C(COc1ccccc1)C(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL6262232 0.83 ELANE (0.38) ALOX15SMN1; SMN2RAB9AALDH1A1HSD17B10
SCHEMBL29044269 0.83 ELANE (0.38) ALOX15SMN1; SMN2RAB9AALDH1A1HSD17B10
SCHEMBL9028297 0.79 ELANE (0.36) ALOX15SMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL27848448 0.76 ELANE (0.44) ALOX15SMN1; SMN2KMT2AALDH1A1HSD17B10
SCHEMBL8646595 0.76 AKR1B1 (0.49) ALOX15KMT2AMEN1NPC1RAB9A
SCHEMBL28935655 0.75 ALDH1A1 (0.40) ALOX15SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9380754 0.73 ELANE (0.42) ALOX15SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9028261 0.73 ELANE (0.38) ALOX15SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4405818 0.73 ELANE (0.45) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL1336622 0.73 ELANE (0.45) ALOX15SMN1; SMN2KMT2AMEN1NPC1

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-5744635-A REACTING THE CORRESPONDING HALOGEN SUBSTITUTED COMPOUND WITH AN ORGANOMETALLIC COMPOUND Uclaf, Roussel (FR) 1998-04-28 US disclosed