SCHEMBL8286504

SCHEMBL8286504

CC[C@]1(C(=O)O)C(=O)OCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.41
MAOA P21397 11/20 0.41
MAOB P27338 11/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL10409193 0.73 NFKB1 (0.43) KDM1AMAOAMAOBGAACYP2C19
SCHEMBL11700667 0.69 KDM1A (0.51) KDM1AMAOAMAOBGAASMN1; SMN2
SCHEMBL5321239 0.69 NFKB1 (0.37) KDM1AMAOAMAOBCYP2C19KDM4E
SCHEMBL1943935 0.69 KDM1A (0.51) KDM1AMAOAMAOBGAASMN1; SMN2
SCHEMBL15767640 0.69 KDM1A (0.51) KDM1AMAOAMAOBGAASMN1; SMN2
SCHEMBL485258 0.66 LMNA (0.38) KDM1AMAOAMAOBSMN1; SMN2KDM4E
SCHEMBL3313168 0.66 OPRK1 (0.36) MAPK1CYP2C19KDM4EALDH1A1TSHR
SCHEMBL15493407 0.66 KDM1A (0.44) KDM1AMAOAMAOBTSHR
SCHEMBL2784000 0.66 OPRK1 (0.36) MAPK1CYP2C19KDM4EALDH1A1TSHR
SCHEMBL2018294 0.65 GAA (0.45) KDM1AMAOAMAOBGAASMN1; 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
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO disclosed