SCHEMBL8866869

SCHEMBL8866869

CC(N)c1ccccc1.O=C(O)C(O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPM8 Q7Z2W7 4/20 0.46
ACP3 P15309 1/20 0.45
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL8866876 1.00 LMNA (0.50) LMNAMAPK1MEN1KMT2ATRPM8
SCHEMBL8866872 1.00 LMNA (0.50) LMNAMAPK1MEN1KMT2ATRPM8
SCHEMBL8868101 1.00 LMNA (0.50) LMNAMAPK1MEN1KMT2ATRPM8
SCHEMBL30147772 0.87 LMNA (0.59) LMNAMAPK1MEN1KMT2AACP3
SCHEMBL606571 0.87 LMNA (0.59) LMNAMAPK1MEN1KMT2AACP3
SCHEMBL1712936 0.87 LMNA (0.59) LMNAMAPK1MEN1KMT2AACP3
SCHEMBL606570 0.87 LMNA (0.59) LMNAMAPK1MEN1KMT2AACP3
Mandelic Acid SCHEMBL28826203 0.84 LMNA (0.72) LMNAMAPK1HIF1AKDM4EALDH1A1
Mandelic Acid SCHEMBL28053312 0.84 LMNA (0.72) LMNAMAPK1HIF1AKDM4EALDH1A1
SCHEMBL148751 0.78 ADRB2 (0.54) LMNAACP3ALDH1A1OPRM1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663360-A REACTING 3,4-DIMETHOXYAMPHETAMINE WITH 3-CHLOROMANDELIC ACID F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 1997-09-02 US claimed
US-5663360-A REACTING 3,4-DIMETHOXYAMPHETAMINE WITH 3-CHLOROMANDELIC ACID F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 1997-09-02 US disclosed