SCHEMBL6165785

SCHEMBL6165785

COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 5/20 0.58
PPARG P37231 2/20 0.56
BCL2 P10415 2/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
KLK5 Q9Y337 1/20 0.52
PTPN1 P18031 2/20 0.52
LTA4H P09960 1/20 0.51
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
REN P00797 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
MCL1 Q07820 1/20 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
SCHEMBL6165779 1.00 YAP1 (0.58) YAP1PPARGBCL2MEN1ALDH1A1
SCHEMBL6160810 0.92 PTPN1 (0.61) YAP1PPARGBCL2PTPN1ITGB3
SCHEMBL6160820 0.92 PTPN1 (0.61) YAP1PPARGBCL2PTPN1ITGB3
SCHEMBL3350988 0.90 BCL2 (0.64) YAP1PPARGBCL2MEN1ALDH1A1
SCHEMBL6161729 0.90 BCL2 (0.64) YAP1PPARGBCL2MEN1ALDH1A1
SCHEMBL3500186 0.90 BCL2 (0.64) YAP1PPARGBCL2MEN1ALDH1A1
SCHEMBL7523637 0.83 BCL2 (0.64) YAP1PPARGBCL2PTPN1REN
SCHEMBL9752770 0.83 BCL2 (0.64) YAP1PPARGBCL2PTPN1REN
SCHEMBL9752771 0.83 BCL2 (0.64) YAP1PPARGBCL2PTPN1REN
SCHEMBL10346843 0.83 KLK5 (0.56) ALDH1A1KLK5RENMMP9

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed