SCHEMBL9501547

SCHEMBL9501547

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 1/20 0.48
▸ MTNR1A P48039 3/20 0.43
▸ MTNR1B P49286 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HDAC3 O15379 1/20 0.40

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
SCHEMBL9501554 1.00 PAM (0.48) PAMMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL8310917 0.85 GPR139 (0.51) PAMMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL8310911 0.85 GPR139 (0.51) PAMMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL10363720 0.80 PAM (0.52) PAMMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL10363718 0.80 PAM (0.52) PAMMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL12216271 0.78 POLB (0.54) PAMSMN1; SMN2MAPTIDO1ALDH1A1
SCHEMBL15660984 0.77 HDAC3 (0.46) PAMSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL18631777 0.76 PAM (0.42) PAMMTNR1AMTNR1BPPARGPPARD
SCHEMBL16036545 0.76 IDO1 (0.52) PAMSMN1; SMN2IDO1ALDH1A1POLB
SCHEMBL12216272 0.76 IDO1 (0.52) PAMSMN1; SMN2IDO1ALDH1A1POLB

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-0300849-B1 PROCESS FOR THE CHEMICAL MODIFICATION OF PROTIDES, AND PRODUCTS SO MODIFIED SOCIETE NATIONALE ELF AQUITAINE (FR) 1993-06-16 — — EP disclosed
US-4870016-A CHANGING SOLUBILITY OF ENZYMES LEVESQUE GUY (FR) 1989-09-26 — — US disclosed
EP-0300849-A1 Process for the chemical modification of protides, and products so modified SOCIETE NATIONALE ELF AQUITAINE (FR) 1989-01-25 — — EP disclosed
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