SCHEMBL3930177

SCHEMBL3930177

Cc1ccc(S(=O)(=O)O)cc1.O=C(OCc1ccccc1)C1CC2CCCCC2N1

nearest known ligand 0.47

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 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ CA1 P00915 5/20 0.46
▸ CA2 P00918 5/20 0.46
▸ LMNA P02545 1/20 0.43
▸ FKBP1A P62942 3/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CTSC P53634 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1415100 1.00 TSHR (0.47) TSHRCA1CA2LMNAFKBP1A
SCHEMBL5549483 0.88 ALDH1A1 (0.44) FKBP1AMAPTCTSCHPGDALDH1A1
SCHEMBL5461273 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL6871388 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL13314011 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL14605828 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL9169159 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL2178522 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL14117906 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL9733234 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866327-A1 IMPROVED PROCESS FOR PREPARATION OF HIGHLY PURE TRANDOLAPRIL Lupin Ltd. (IN) 2007-12-19 — — EP claimed
WO-2006085332-A1 IMPROVED PROCESS FOR PREPARATION OF HIGHLY PURE TRANDOLAPRIL LUPIN LIMITED (IN) 2006-08-17 — — WO claimed
EP-2906536-A1 AN IMPROVED PROCESS FOR PREPARATION OF PERINDOPRIL INTERMEDIATE Piramal Enterprises Limited (IN) 2015-08-19 — — EP disclosed
WO-2014057404-A1 AN IMPROVED PROCESS FOR PREPARATION OF PERINDOPRIL INTERMEDIATE Piramal Enterprises Limited (IN) 2014-04-17 — — WO disclosed
EP-2044010-A1 NEW PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE- INHIBITORS AND THE USE THEREOF EGIS Gyógyszergyár Nyilvánosan Müködõ Részvénytársaság (HU) 2009-04-08 — — EP disclosed
WO-2007132277-A1 NEW PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE- INHIBITORS AND THE USE THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2007-11-22 — — WO disclosed
EP-1675827-A1 NOVEL METHOD FOR PREPARATION OF CRYSTALLINE PERINDOPRIL ERBUMINE Lupin Limited (IN) 2006-07-05 — — EP disclosed
WO-2005037788-A1 NOVEL METHOD FOR PREPARATION OF CRYSTALLINE PERINDOPRIL ERBUMINE LUPIN LTD. (IN) 2005-04-28 — — WO disclosed
US-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 — — US disclosed
US-5162362-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-10 — — US disclosed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 — — US disclosed
Send feedback