SCHEMBL7274648

SCHEMBL7274648

CCCC[C@H](N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
LNPEP Q9UIQ6 2/20 0.42
ERAP2 Q6P179 1/20 0.42
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28847759 1.00 LMNA (0.48) LMNAMAPTCA1CA2LNPEP
SCHEMBL28847755 0.99 LMNA (0.47) LMNAMAPTCA1CA2LNPEP
SCHEMBL11688967 0.96 LMNA (0.46) LMNAMAPTCA1CA2ALDH1A1
SCHEMBL3082151 0.93 LMNA (0.50) LMNAMAPTCA1CA2POLB
SCHEMBL2084720 0.93 LMNA (0.50) LMNAMAPTCA1CA2POLB
SCHEMBL7803936 0.90 LMNA (0.47) LMNAMAPTCA1CA2MAPK1
SCHEMBL20572531 0.90 LMNA (0.47) LMNAMAPTCA1CA2MAPK1
SCHEMBL28640586 0.90 LMNA (0.47) LMNAMAPTCA1CA2MAPK1
SCHEMBL11203979 0.90 LMNA (0.47) LMNAMAPTCA1CA2MAPK1
SCHEMBL29104388 0.89 LMNA (0.46) LMNAMAPTCA1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed