SCHEMBL8990050

SCHEMBL8990050

NC(=O)C(S)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.50
▸ MME P08473 1/20 0.49
▸ ACE P12821 1/20 0.49
▸ CPA1 P15085 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ ANPEP P15144 2/20 0.49
▸ ERAP1 Q9NZ08 2/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ TSHR P16473 1/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL11108501 0.84 ACE (0.55) CNR2MMEACECPA1ACE2
SCHEMBL27587469 0.81 ERAP1 (0.49) CNR2ANPEPERAP1ERAP2TSHR
SCHEMBL25432477 0.80 EPHX1 (0.58) MMEACECPA1ACE2EPHX1
SCHEMBL341788 0.80 ANPEP (0.52) CNR2MMEANPEPERAP1ERAP2
SCHEMBL8240623 0.80 EPHX1 (0.58) MMEACECPA1ACE2EPHX1
SCHEMBL28107772 0.80 ERAP1 (0.52) CNR2ANPEPERAP1ERAP2TSHR
SCHEMBL4024544 0.78 ERAP1 (0.55) CNR2ANPEPERAP1ERAP2TSHR
SCHEMBL5431087 0.78 ERAP1 (0.55) CNR2ANPEPERAP1ERAP2TSHR
SCHEMBL30136523 0.78 ERAP1 (0.51) CNR2ANPEPERAP1ERAP2TSHR
SCHEMBL7356925 0.78 ERAP1 (0.55) CNR2ANPEPERAP1ERAP2TSHR

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
CN-110452138-A A method of preparing N- phenyl -3- methanesulfonyl propionamide UNIV CHANGZHOU 2019-11-15 — — CN claimed
CN-109232476-A A kind of new method preparing N- phenyl -3- morpholine propionamide 常州大学 2019-01-18 — — CN claimed
CN-110452138-A A method of preparing N- phenyl -3- methanesulfonyl propionamide UNIV CHANGZHOU 2019-11-15 — — CN disclosed
CN-110452138-A A method of preparing N- phenyl -3- methanesulfonyl propionamide UNIV CHANGZHOU 2019-11-15 — — CN disclosed
CN-109232476-A A kind of new method preparing N- phenyl -3- morpholine propionamide 常州大学 2019-01-18 — — CN disclosed
CN-109232476-A A kind of new method preparing N- phenyl -3- morpholine propionamide 常州大学 2019-01-18 — — CN disclosed
US-5563250-A Cleavable conjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1996-10-08 — — US disclosed
US-5141648-A Methods for isolating compounds using cleavable linker bound matrices NEORX CORPORATION (US) 1992-08-25 — — US disclosed
EP-0318948-B1 CLEAVABLE IMMUNOCONJUGATES FOR THE DELIVERY AND RELEASE OF AGENTS IN NATIVE FORM NEORX CORPORATION (US) 1992-08-19 — — EP disclosed
US-5017693-A Methods for introducing a sulfhydryl amino or hydroxyl groups to a compound NEORX CORPORATION (US) 1991-05-21 — — US disclosed
EP-0318948-A2 Cleavable immunoconjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1989-06-07 — — EP disclosed
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