SCHEMBL9017947

SCHEMBL9017947

CC(Cl)c1ccc(C(=O)O)c(C(=O)O)c1C(C)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.38
ALDH1A1 P00352 5/20 0.36
GRM1 Q13255 1/20 0.36
CYP1A2 P05177 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
CDC25B P30305 1/20 0.31
LDHA P00338 1/20 0.31
ALB P02768 1/20 0.31
LDHB P07195 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL27985345 0.79 GRM1 (0.42) ACE2ALDH1A1GRM1CYP1A2FABP3
SCHEMBL1446639 0.78 ACE2 (0.47) ACE2ALDH1A1GRM1CYP1A2FABP3
SCHEMBL11769880 0.76 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRSMN1; SMN2ALOX15
SCHEMBL1047111 0.76 ACE2 (0.39) ACE2ALDH1A1GRM1CYP1A2FABP3
SCHEMBL4199143 0.75 GRM1 (0.42) ACE2ALDH1A1GRM1CYP1A2FABP3
SCHEMBL28238364 0.75 CYP1A2 (0.42) ACE2ALDH1A1GRM1CYP1A2FABP3
SCHEMBL10455442 0.75 GRM1 (0.36) ACE2ALDH1A1GRM1CYP1A2TSHR
SCHEMBL8603134 0.74 ACE2 (0.40) ACE2ALDH1A1GRM1CYP1A2FABP3
SCHEMBL29199102 0.73 DPP4 (0.42) ACE2ALDH1A1CYP1A2FABP3FABP4
SCHEMBL5471354 0.72 ALDH1A1 (0.38) ACE2ALDH1A1GRM1CYP1A2FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544889-B1 OLEFIN POLYMERIZATION AND COPOLYMERIZATION CATALYST AMOCO CORP (US) 1996-08-21 EP disclosed
EP-0544889-A1 OLEFIN POLYMERIZATION AND COPOLYMERIZATION CATALYST. AMOCO CORP (US) 1993-06-09 EP disclosed
US-5182245-A Coordination catalyst, magnesium compound, transition metal halide, tetrabutoxysilane and/or tetrabutoxytitanium AMOCO CORPORATION (US) 1993-01-26 US disclosed
WO-1993000372-A1 OLEFIN POLYMERIZATION AND COPOLYMERIZATION CATALYST AMOCO CORPORATION (US) 1993-01-07 WO disclosed
EP-0356841-A2 Process for preparing propylene homo- and copolymers by means of a Ziegler-Natta catalytie system BASF Aktiengesellschaft (DE) 1990-03-07 EP disclosed