SCHEMBL6438741

SCHEMBL6438741

CC(C)Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1CC(C)C.CC(C)Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1CC(C)C.[Ti+4]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
FBP1 P09467 2/20 0.32
PTGER1 P34995 4/20 0.31
TBXA2R P21731 1/20 0.30
PTGER3 P43115 1/20 0.30
LMNA P02545 3/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
CYP2C9 P11712 2/20 0.30
AKR1C3 P42330 2/20 0.30
CXCR1 P25024 2/20 0.30
CXCR2 P25025 2/20 0.30
ALB P02768 1/20 0.30
ESR1 P03372 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL77326 0.77 LMNA (0.39) GABRA1GABRB2LMNAALDH1A1MEN1
SCHEMBL3674007 0.75 GABRA1 (0.47) GABRA1GABRB2PTGER1PTGER3LMNA
SCHEMBL27494885 0.75 LMNA (0.39) GABRA1GABRB2FBP1LMNAALDH1A1
SCHEMBL11761598 0.75 GABRA1 (0.47) GABRA1GABRB2FBP1PTGER1PTGER3
SCHEMBL16045306 0.75 GABRA1 (0.35) GABRA1GABRB2LMNAALDH1A1MEN1
SCHEMBL10882406 0.73 ALDH1A1 (0.35) GABRA1GABRB2LMNAALDH1A1MEN1
Phthalic Acid SCHEMBL31462355 0.72 ALDH1A1 (0.44) LMNAALDH1A1MEN1HPGDKMT2A
Phthalic Acid SCHEMBL29113646 0.72 ALDH1A1 (0.44) LMNAALDH1A1MEN1HPGDKMT2A
SCHEMBL28772233 0.72 LMNA (0.36) GABRA1GABRB2FBP1LMNAALDH1A1
SCHEMBL11146352 0.71 CDK4 (0.41) LMNAALDH1A1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023348-B1 PROCESS FOR THE PRODUCTION OF HETEROPHASIC POLYMER COMPOSITIONS, AND COMPOSITIONS THUS OBTAINED BASELL POLIOLEFINE SRL (IT) 2005-10-12 EP disclosed
US-6355731-B1 ADDITION COPOLYMERIZATION OF ETHYLENE AND ALPHA-OLEFIN IN PRESENCE OF COORDINATION CATALYST CONTAINING TITANIUM AND ORGANOMETALLIC COMPOUNDS AND ELECTRON DONOR; DEACTIVATION; SOFTNESS, FLEXIBILITY, IMPACT STRENGTH MONTECH USA INC. 2002-03-12 US disclosed
EP-1023348-A1 PROCESS FOR THE PRODUCTION OF HETEROPHASIC POLYMER COMPOSITIONS, AND COMPOSITIONS THUS OBTAINED Montech USA Inc. (US) 2000-08-02 EP disclosed
WO-2000011057-A1 PROCESS FOR THE PRODUCTION OF HETEROPHASIC POLYMER COMPOSITIONS, AND COMPOSITIONS THUS OBTAINED MONTECH USA INC. (US) 2000-03-02 WO disclosed