SCHEMBL4956291

SCHEMBL4956291

CCC(O)C(O)C(O)CCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 4/20 0.34
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL3174122 0.93 LMNA (0.38) PTPN1ALDH1A1LMNACYP2D6SPHK1
SCHEMBL3630693 0.84 PTPN1 (0.39) PTPN1ALDH1A1LMNACYP2D6SPHK1
SCHEMBL18136267 0.84 LMNA (0.37) LMNATSHR
SCHEMBL15044040 0.84 LMNA (0.37) LMNATSHR
SCHEMBL15895084 0.84 LMNA (0.37) LMNATSHR
SCHEMBL1661707 0.81 THRB (0.36) PTPN1LMNATRPV1TRPA1
SCHEMBL31461000 0.80 SPHK1 (0.52) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL15484312 0.79 LMNA (0.53) PTPN1LMNACYP2D6SPHK1GMNN
SCHEMBL14556007 0.79 LMNA (0.38) ALDH1A1LMNAKDM4ETSHR
SCHEMBL20474203 0.78 SMN1; SMN2 (0.43) PTPN1ALDH1A1LMNACYP2D6SPHK1

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
EP-1960450-A2 POLYURETHANES, POLYURETHANE(UREAS) SULFUR-CONTAINING POLYURETHANES AND SULFUR-CONTAINING POLYURETHANE(UREAS) AND METHODS OF PREPARATION PPG Industries Ohio, Inc. (US) 2008-08-27 EP disclosed
WO-2007078549-A2 POLYURETHANES, POLYURETHANE(UREAS) SULFUR-CONTAINING POLYURETHANES AND SULFUR-CONTAINING POLYURETHANE(UREAS) AND METHODS OF PREPARATION PPG INDUSTRIES OHIO, INC. (US) 2007-07-12 WO disclosed