SCHEMBL10943203

SCHEMBL10943203

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.53
▸ TBXA2R P21731 3/20 0.38
▸ HTR2C P28335 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TERT O14746 1/20 0.32

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
SCHEMBL10941015 0.97 ACE (0.54) ACETBXA2RHTR2CSLC6A3LMNA
SCHEMBL8654100 0.87 ACE (0.70) ACELMNATERTFFAR2ALDH1A1
SCHEMBL10940664 0.83 ACE (0.75) ACETBXA2RLMNAFFAR2ALDH1A1
SCHEMBL10941007 0.80 ACE (0.77) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11004289 0.79 ACE (0.80) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10945948 0.76 PTGFR (0.39) DRD3
SCHEMBL10945129 0.75 L3MBTL1 (0.43) KMT2ALMNAALDH1A1POLB
SCHEMBL10944184 0.75 ACE (0.80) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10943539 0.74 ACE (0.46) ACE
SCHEMBL10943414 0.74 ACE (0.41) ACETERT

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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