SCHEMBL3633353

SCHEMBL3633353

COC(=O)c1ccc(CCC(CCc2ccc(C(=O)OC)cc2)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.58
CYP4F2 P78329 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.54
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
CKS1B P61024 1/20 0.49
SKP2 Q13309 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MGLL Q99685 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.47
CA1 P00915 5/20 0.47

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
SCHEMBL3485100 0.85 CYP4A11 (0.47) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL19002551 0.83 CYP4A11 (0.62) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL70185 0.82 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL8337316 0.81 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL19922221 0.81 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL10965456 0.80 LOXL2 (0.59) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL1928912 0.79 TSHR (0.67) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL2652782 0.79 CYP4A11 (0.61) CYP4A11CYP4F2LOXL2ALDH1A1TP53
Hydrochloric Acid SCHEMBL6364657 0.79 LOXL2 (0.57) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL661620 0.77 CYP4A11 (0.64) CYP4A11CYP4F2LOXL2ALDH1A1TP53

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-2142504-A2 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF Bayer Schering Pharma AG (DE) 2010-01-13 EP disclosed
WO-2008119457-A2 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-09 WO disclosed