SCHEMBL541269

SCHEMBL541269

CCC(C=O)(CO)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.40
HIF1A Q16665 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FDPS P14324 1/20 0.38
CYP1A2 P05177 1/20 0.37
RIPK1 Q13546 3/20 0.37
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
TRPA1 O75762 1/20 0.36
RECQL P46063 1/20 0.36
MMP8 P22894 1/20 0.36
TSHR P16473 3/20 0.35

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
SCHEMBL28315429 0.82 LMNA (0.40) CYP2C19CYP2C9ALDH1A1CYP3A4LMNA
SCHEMBL8026003 0.79 CTSK (0.40) CYP2C19CYP2C9ALDH1A1CYP3A4LMNA
Ammonia Solution, Strong SCHEMBL27480759 0.78 SMN1; SMN2 (0.43) CYP2C19CYP2C9ALDH1A1CYP3A4LMNA
SCHEMBL6798782 0.77 EPHX2 (0.41) SMN1; SMN2CTSKCTSLCTSBMMP8
SCHEMBL342672 0.74 SLC6A2 (0.45) CYP2C19CYP2C9ALDH1A1CYP3A4LMNA
SCHEMBL11848447 0.74 SMN1; SMN2 (0.46) CYP2C19CYP2C9ALDH1A1CYP3A4LMNA
SCHEMBL342641 0.73
SCHEMBL229942 0.73
SCHEMBL2516872 0.73 FDPS (0.47) CYP2C19CYP2C9ALDH1A1CYP3A4LMNA
SCHEMBL7076258 0.73 IDO1 (0.41) CYP2C19CYP2C9ALDH1A1CYP3A4LMNA

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
EP-2414421-A1 MOISTURE-REACTIVE POLYURETHANE COMPOSITION WITH ACCELERATED CURING ACHIEVED BY THE ACTION OF HEAT Sika Technology AG (CH) 2012-02-08 EP disclosed
WO-2010112535-A1 MOISTURE-REACTIVE POLYURETHANE COMPOSITION WITH ACCELERATED CURING ACHIEVED BY THE ACTION OF HEAT SIKA TECHNOLOGY AG (CH) 2010-10-07 WO disclosed
EP-2132248-A1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN Sika Technology AG (CH) 2009-12-16 EP disclosed
WO-2008116928-A1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2008-10-02 WO disclosed