SCHEMBL7122028

SCHEMBL7122028

O=S(=O)(C1c2cccc3cccc(c23)C2SC21)C1c2cccc3cccc(c23)C2SC21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
MCL1 Q07820 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL175756 0.72 MTNR1A (0.32) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3421831 0.66 ALDH1A1 (0.33) ALDH1A1MCL1LMNAMAPTSMN1; SMN2
SCHEMBL9576048 0.64 ALDH1A1 (0.33) ALDH1A1CES2BCHECES1MCL1
SCHEMBL638576 0.61 ALDH1A1 (0.45) ALDH1A1CES2BCHECES1MCL1
SCHEMBL638574 0.61 ALDH1A1 (0.45) ALDH1A1CES2BCHECES1MCL1
SCHEMBL638575 0.61 ALDH1A1 (0.45) ALDH1A1CES2BCHECES1MCL1
SCHEMBL4368482 0.61 ALDH1A1 (0.42) ALDH1A1CES2BCHECES1MCL1
SCHEMBL1155633 0.60 RET (0.31)
Pyrene SCHEMBL9340936 0.58 ALDH1A1 (0.65) ALDH1A1CES2BCHECES1MCL1
SCHEMBL253599 0.58 MTNR1A (0.42) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753406-B2 MELTING POLYBUTYLENE TEREPHTHALATE IN PRESENCE OF STABILIZER (CALCIUM STEARATE AND/OR MELAMINE); RECYCLING, POLLUTION CONTROL TICONA GMBH (DE) 2004-06-22 US disclosed
US-20030125514-A1 Process and means for reducing formaldehyde emission during the processing of thermoplastics with admixed polyacetal TICONA GMBH (DE) 2003-07-03 US disclosed
EP-0524343-A1 Poly(arylene sulfide) resins reinforced with glass fibers PHILLIPS PETROLEUM COMPANY (US) 1993-01-27 EP disclosed
US-5045367-A High strength PHILLIPS PETROLEUM COMPANY (US) 1991-09-03 US disclosed