SCHEMBL7929973

SCHEMBL7929973

CCCCC(=CC(Cl)=Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 2/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
CYP19A1 P11511 2/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
PTGS1 P23219 1/20 0.38
ESR1 P03372 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PDPK1 O15530 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
SCHEMBL560984 0.84 LMNA (0.51) LMNATDP1PTGS2CES2CES1
SCHEMBL6272355 0.83 LMNA (0.45) LMNATDP1PTGS2CES2CES1
SCHEMBL9223222 0.79 LMNA (0.42) LMNATDP1PTGS2CES2CES1
SCHEMBL7052945 0.79 LMNA (0.58) LMNATDP1PTGS2CES2CES1
SCHEMBL11352148 0.78 TDP1 (0.59) LMNATDP1PTGS2CES2CES1
SCHEMBL16721070 0.76 CES2 (0.56) PTGS2CES2CES1ALDH1A1PDPK1
SCHEMBL16721069 0.76 CES2 (0.56) PTGS2CES2CES1ALDH1A1PDPK1
SCHEMBL16721072 0.76 CES2 (0.56) PTGS2CES2CES1ALDH1A1PDPK1
SCHEMBL9452454 0.75 LMNA (0.53) LMNATDP1PTGS2CES2CES1
SCHEMBL20534185 0.75 ESR1 (0.57) LMNATDP1PTGS2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001520284-A 2001-10-30 JP claimed
EP-1023338-A1 PREPARATION OF MULTIMODAL POLYMER COMPOSITIONS USING MULTINUCLEAR METALLOCENE CATALYSTS SRI INTERNATIONAL (US) 2000-08-02 EP claimed
WO-1999020665-A1 PREPARATION OF MULTIMODAL POLYMER COMPOSITIONS USING MULTINUCLEAR METALLOCENE CATALYSTS SRI INTERNATIONAL (US) 1999-04-29 WO claimed