SCHEMBL11633682

SCHEMBL11633682

CC(CO)(CO)OCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
NR4A2 P43354 2/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
PNMT P11086 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13603792 0.81 IDO1 (0.55) IDO1MAOBMAOANR4A2CASP3
SCHEMBL11475718 0.80 MAOB (0.41) MAOBALDH1A1HTTHPGDMAPT
SCHEMBL11634114 0.79 IDO1 (0.48) IDO1MAOBALDH1A1TAAR1PKM
Boric Acid SCHEMBL28083885 0.75 IDO1 (0.44) IDO1MAOBMAOANR4A2CASP3
SCHEMBL11633545 0.73 KDM4E (0.47) IDO1ALDH1A1MAPTTAAR1L3MBTL1
SCHEMBL23708530 0.71 IDO1 (0.57) IDO1MAOBMAOANR4A2CASP3
SCHEMBL11567668 0.70 IDO1 (0.42) IDO1PNMTALDH1A1HTTRAB9A
SCHEMBL28408594 0.70 TAAR1 (0.48) IDO1PNMTTAAR1
SCHEMBL18997055 0.70 IDO1 (0.52) IDO1MAOBMAOANR4A2PNMT
SCHEMBL12330408 0.70 MAOA (0.53) IDO1MAOBMAOANR4A2CASP3

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-4077982-A HERBICIDES FMC CORPORATION (US) 1978-03-07 US disclosed