SCHEMBL16242531

SCHEMBL16242531

Cc1ccc2c(c1)C=CC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 1/20 0.30

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
SCHEMBL23190235 0.81 HTR2C (0.36) TDP1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL28666658 0.79 THRB (0.32) THRBTDP1SMN1; SMN2TP53CYP3A4
SCHEMBL22616905 0.79 THRB (0.32) THRBTDP1SMN1; SMN2TP53CYP3A4
Hydrochloric Acid SCHEMBL28662631 0.78 THRB (0.31) THRBTDP1SMN1; SMN2TP53CYP3A4
SCHEMBL28675804 0.78 THRB (0.31) THRBTDP1SMN1; SMN2TP53CYP3A4
SCHEMBL18989196 0.77 HTR2C (0.36)
SCHEMBL6561061 0.77 ALDH1A1 (0.33) CYP3A4CA1PDK2
SCHEMBL7931948 0.75 TDP1 (0.40) THRBTDP1SMN1; SMN2TP53CYP3A4
SCHEMBL7907689 0.71
SCHEMBL22616638 0.71 MEN1 (0.33) THRBTDP1HTTMEN1LMNA

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-2794686-B1 ACTIVATION OF CATALYTIC SYSTEMS FOR THE STEREOSPECIFIC POLYMERIZATION OF DIENES MICHELIN & CIE (FR) 2016-05-18 EP disclosed
US-20140350202-A1 ACTIVATION OF CATALYTIC SYSTEMS FOR THE STEREOSPECIFIC POLYMERIZATION OF DIENES COMPAGNIE GENERALE DES ESTABLISSEMENTS MICHELIN (FR) 2014-11-27 US disclosed