SCHEMBL4660374

SCHEMBL4660374

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1OC(=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
GAA P10253 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
UTS2R Q9UKP6 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4660292 0.89 CHRM2 (0.48) CHRM2CHRM1KMT2AALDH1A1KDM4E
SCHEMBL4660388 0.89 CHRM2 (0.48) CHRM2CHRM1KMT2ANPC1KDM4E
SCHEMBL4660336 0.88 CHRM2 (0.47) CHRM2CHRM1GAAKMT2APOLB
SCHEMBL4660409 0.87 CHRM2 (0.51) CHRM2CHRM1GAAKMT2APOLB
SCHEMBL4659036 0.87 CHRM2 (0.51) CHRM2CHRM1GAAKMT2APOLB
SCHEMBL4661597 0.85 CHRM2 (0.46) CHRM2CHRM1GAAKMT2ANPC1
SCHEMBL4659023 0.85 CHRM2 (0.44) CHRM2CHRM1GAAKMT2APOLB
SCHEMBL4661558 0.85 CHRM2 (0.48) CHRM2CHRM1KMT2AKDM4EMAPT
SCHEMBL1158251 0.84 CHRM2 (0.62) CHRM2CHRM1KMT2APOLBNPC1
SCHEMBL4659057 0.84 CHRM2 (0.62) CHRM2CHRM1KMT2APOLBNPC1

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
EP-2004592-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2008-12-24 EP disclosed
WO-2007140986-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD (IE) 2007-12-13 WO disclosed