SCHEMBL8655901

SCHEMBL8655901

[CH2]CCCCCCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
CYP2C19 P33261 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
MCHR1 Q99705 1/20 0.49
KMT2A Q03164 6/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
CA2 P00918 1/20 0.43
PAX8 Q06710 1/20 0.43
CTSK P43235 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
G6PD P11413 1/20 0.42
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 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
SCHEMBL7878735 1.00 ALDH1A1 (0.71) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL7220819 0.98 ALDH1A1 (0.74) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL4391249 0.92 ALDH1A1 (0.77) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971186 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971703 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8970703 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971430 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8970657 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971393 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL4001371 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1

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-0628424-B1 Method for marking a surface of an object by means of a laser KONINKL PHILIPS ELECTRONICS NV (NL) 1998-11-04 EP disclosed
US-5554196-A Method of marking a surface of an object by means of a laser light U.S. PHILIPS CORPORATION (US) 1996-09-10 US disclosed
EP-0628424-A1 Method for marking a surface of an object by means of a laser Koninklijke Philips Electronics N.V. (NL) 1994-12-14 EP disclosed