SCHEMBL6578238

SCHEMBL6578238

C[C@@H](C(=O)c1ccccc1)C(O)=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ PGR P06401 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ LMNA P02545 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ATM Q13315 2/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CES2 O00748 4/20 0.47
▸ CES1 P23141 4/20 0.47
▸ MDM2 Q00987 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
SCHEMBL6575621 1.00 KMT2A (0.51) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL11408880 1.00 KMT2A (0.51) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL1397470 0.86 KMT2A (0.58) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL11046987 0.83 KMT2A (0.49) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL8823334 0.82 KMT2A (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL3274886 0.82 KMT2A (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL649287 0.82 KMT2A (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL20944778 0.82 KMT2A (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL28458281 0.80 KMT2A (0.53) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL11408876 0.78 KMT2A (0.51) KMT2APGRADRA2AADRA2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 — — EP disclosed
US-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 — — US disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 — — EP disclosed
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