SCHEMBL4438745

SCHEMBL4438745

O=C(O)C(CS)CC1CCCO1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.47
CPB2 Q96IY4 2/20 0.47
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 5/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.36
FOLH1 Q04609 1/20 0.36

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
SCHEMBL2397125 0.83 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL28610035 0.83 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1716814 0.83 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL2399882 0.83 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL11864950 0.80 USP2 (0.49) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL2398386 0.78 USP2 (0.38) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL2398526 0.78 USP2 (0.38) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1916140 0.78 USP2 (0.38) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL14759125 0.78 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL8408654 0.78 ALDH1A1 (0.47) USP2SMN1; SMN2HPGDTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263339-A1 AGENT FOR EXTERNAL APPLICATION TO THE SKIN KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKY (JP) 2009-10-22 US disclosed
EP-1894558-A1 AGENT FOR EXTERNAL APPLICATION TO THE SKIN Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2008-03-05 EP disclosed