SCHEMBL6689841

SCHEMBL6689841

Cc1[nH]c2ccc(CC(C)([AsH2])C3CCCCC3)cc2c1C(=O)OC(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MDM2 Q00987 5/20 0.34
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 4/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MDM4 O15151 1/20 0.33
GAA P10253 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6689299 0.83 LMNA (0.35) LMNASMN1; SMN2GAARAB9AMAPT
SCHEMBL6322135 0.81 MDM2 (0.37) ALOX5NPSR1MDM2LMNAMAPT
SCHEMBL6316063 0.78 HPGD (0.41) ALOX5LMNASMN1; SMN2PTGS2MAPT
SCHEMBL6407520 0.78 RAB9A (0.36) ALOX5MDM2NR1H2NR1H3LMNA
SCHEMBL6317246 0.77 ALDH1A1 (0.41) ALOX5LMNASMN1; SMN2GAAMAPT
SCHEMBL6323321 0.76 AVPR1B (0.38) ALOX5LMNASMN1; SMN2GAAOPRM1
SCHEMBL6692830 0.75 LMNA (0.35) LMNASMN1; SMN2GAARAB9AMAPT
SCHEMBL6320591 0.75 ALOX5 (0.39) ALOX5LMNASMN1; SMN2GAAALDH1A1
SCHEMBL6316709 0.71 LMNA (0.42) ALOX5MDM2LMNASMN1; SMN2GAA
SCHEMBL6315618 0.69 ALOX5 (0.39) ALOX5MDM2LMNASMN1; SMN2GAA

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-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP claimed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO claimed