SCHEMBL6578234

SCHEMBL6578234

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA13 Q8N1Q1 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ 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

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
SCHEMBL11408876 1.00 KMT2A (0.51) KMT2ACA12CA1CA2CA3
SCHEMBL6575618 1.00 KMT2A (0.51) KMT2ACA12CA1CA2CA3
SCHEMBL1397470 0.86 KMT2A (0.58) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL649287 0.82 KMT2A (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL8823334 0.82 KMT2A (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL20944778 0.82 KMT2A (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL3274886 0.82 KMT2A (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL28458281 0.80 KMT2A (0.53) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL6578238 0.78 KMT2A (0.51) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL8823300 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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