SCHEMBL8310911

SCHEMBL8310911

CC(=O)N[C@@H](CSC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 1/20 0.51
▸ PAM P19021 1/20 0.50
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MTNR1A P48039 3/20 0.45
▸ MTNR1B P49286 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ PPARD Q03181 2/20 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
SCHEMBL8310917 1.00 GPR139 (0.51) GPR139PAMKMT2AMAPTALDH1A1
SCHEMBL10363720 0.94 PAM (0.52) GPR139PAMKMT2AMAPTALDH1A1
SCHEMBL10363718 0.94 PAM (0.52) GPR139PAMKMT2AMAPTALDH1A1
SCHEMBL16641859 0.88 ALDH1A1 (0.46) GPR139PAMKMT2AMAPTALDH1A1
SCHEMBL16641857 0.88 ALDH1A1 (0.46) GPR139PAMKMT2AMAPTALDH1A1
SCHEMBL8307911 0.87 TSHR (0.54) GPR139PAMKMT2AMAPTALDH1A1
SCHEMBL8307913 0.87 TSHR (0.54) GPR139PAMKMT2AMAPTALDH1A1
SCHEMBL10942540 0.86 PTPN1 (0.50) GPR139IDO1PPARGPPARA
SCHEMBL10805856 0.86 PTPN1 (0.50) GPR139IDO1PPARGPPARA
SCHEMBL9501547 0.85 PAM (0.48) GPR139PAMMAPTALDH1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116263443-A Evaluation method for safety influence of benzene series on offshore marine ecological environment 舟山海关综合技术服务中心 2023-06-16 — — CN disclosed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 — — EP disclosed
US-5705527-A VASODILATORS AND ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1998-01-06 — — US disclosed
EP-0641769-B1 AMINO ACID DERIVATIVE SANKYO CO (JP) 1997-01-29 — — EP disclosed
EP-0641769-A1 AMINO ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 — — EP disclosed
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