SCHEMBL4438751

SCHEMBL4438751

O=C(O)CC(S)CC1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 6/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 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
SCHEMBL11864950 0.76 USP2 (0.49) NPSR1ALDH1A1USP2SMN1; SMN2HPGD
SCHEMBL1711899 0.73 USP2 (0.46) NPSR1ALDH1A1USP2SMN1; SMN2HPGD
SCHEMBL1711900 0.73 USP2 (0.46) NPSR1ALDH1A1USP2SMN1; SMN2HPGD
SCHEMBL1711904 0.73 USP2 (0.46) NPSR1ALDH1A1USP2SMN1; SMN2HPGD
SCHEMBL4438745 0.72 CPN1 (0.47) ALDH1A1USP2SMN1; SMN2HPGDTP53
SCHEMBL499885 0.72 NPSR1 (0.61) NPSR1ALDH1A1USP2SMN1; SMN2HPGD
SCHEMBL7888124 0.71 USP2 (0.45) ALDH1A1USP2SMN1; SMN2HPGDTP53
SCHEMBL1711638 0.71 USP2 (0.45) ALDH1A1USP2SMN1; SMN2HPGDTP53
SCHEMBL7888410 0.71 USP2 (0.45) ALDH1A1USP2SMN1; SMN2HPGDTP53
SCHEMBL7366756 0.71 USP2 (0.45) ALDH1A1USP2SMN1; SMN2HPGDTP53

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