SCHEMBL15344604

SCHEMBL15344604

CCCOc1cccc(C(=O)O)c1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.50
PTK2B Q14289 1/20 0.50
LTB4R Q15722 5/20 0.48
LTB4R2 Q9NPC1 5/20 0.48
MEN1 O00255 3/20 0.47
HIF1A Q16665 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL15344582 0.89 LTB4R (0.53) KMT2AALDH1A1PTK2BLTB4RLTB4R2
SCHEMBL1989711 0.87 L3MBTL1 (0.50) KMT2AALDH1A1PTK2BMEN1KDM4E
SCHEMBL15344608 0.86 LTB4R (0.52) KMT2AALDH1A1PTK2BLTB4RLTB4R2
SCHEMBL1984974 0.84 HTT (0.53) KMT2AALDH1A1PTK2BLTB4RLTB4R2
SCHEMBL28142083 0.84 MRGPRX4 (0.46) KMT2AALDH1A1PTK2BLTB4RLTB4R2
SCHEMBL28178718 0.84 MRGPRX4 (0.46) KMT2AALDH1A1PTK2BLTB4RLTB4R2
SCHEMBL16959169 0.83 CNR1 (0.41) KMT2AALDH1A1LTB4RLTB4R2MEN1
SCHEMBL124950 0.83 ALDH1A1 (0.71) KMT2AALDH1A1PTK2BMEN1HIF1A
SCHEMBL31643582 0.83 ALDH1A1 (0.71) KMT2AALDH1A1PTK2BMEN1HIF1A
SCHEMBL2340348 0.82 KMT2A (0.51) KMT2AALDH1A1PTK2BMEN1HIF1A

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-8569195-B2 Internal and external donor compounds for olefin polymerization catalysts II BASF CORPORATION (US) 2013-10-29 US claimed
EP-2782938-B1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF CORP (US) 2016-08-31 EP disclosed