SCHEMBL10941015

SCHEMBL10941015

O=C(O)CCCC(=O)N1C(c2ccccc2O)SC[C@H]1OC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.54
▸ TBXA2R P21731 4/20 0.35
▸ HTT P42858 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ FFAR2 O15552 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTR2C P28335 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL10943203 0.97 ACE (0.53) ACETBXA2RLMNATERTCYP1A2
SCHEMBL8398562 0.89 ACE (0.56) ACEHTTLMNATERTFFAR2
SCHEMBL8654100 0.88 ACE (0.70) ACEHTTLMNATERTFFAR2
SCHEMBL10941007 0.83 ACE (0.77) ACEHTTLMNAFFAR2ALDH1A1
SCHEMBL10940664 0.80 ACE (0.75) ACETBXA2RHTTLMNAFFAR2
SCHEMBL11004289 0.75 ACE (0.80) ACEHTTLMNAFFAR2ALDH1A1
SCHEMBL10944184 0.75 ACE (0.80) ACEHTTLMNAFFAR2ALDH1A1
SCHEMBL10943539 0.75 ACE (0.46) ACE
SCHEMBL10943414 0.74 ACE (0.41) ACETERT
SCHEMBL683207 0.73 ACE (0.87) ACEHTTLMNAFFAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031104-B1 THIAZOLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 — — EP claimed
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