SCHEMBL6946458

SCHEMBL6946458

CCC=CC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 5/20 0.37
HTR2A P28223 4/20 0.37
HRH1 P35367 3/20 0.37
TRPA1 O75762 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MIF P14174 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9317926 0.83 CYP1A2 (0.42) LMNATAAR1HTR2AHRH1TRPA1
SCHEMBL9317922 0.83 CYP1A2 (0.42) LMNATAAR1HTR2AHRH1TRPA1
SCHEMBL691655 0.80 TRPA1 (0.47) LMNATAAR1HTR2ATRPA1ALDH1A1
SCHEMBL691654 0.80 TRPA1 (0.47) LMNATAAR1HTR2ATRPA1ALDH1A1
SCHEMBL1101279 0.78 DPP4 (0.41) LMNATAAR1HTR2A
SCHEMBL2243794 0.78 LMNA (0.48) LMNATRPA1ALDH1A1
SCHEMBL1950756 0.78 TSHR (0.41) LMNATAAR1HTR2AHRH1TRPA1
SCHEMBL96430 0.78 LMNA (0.48) LMNATRPA1ALDH1A1
SCHEMBL7427771 0.77 TSHR (0.39) LMNATAAR1HTR2AHRH1CYP3A4
SCHEMBL2095479 0.77 TAAR1 (0.36) LMNATAAR1HTR2AHRH1CYP3A4

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-1337536-A1 CATIONIC GROUP-3 CATALYST SYSTEM ExxonMobil Chemical Patents Inc. (US) 2003-08-27 EP disclosed
WO-2002032909-A1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-04-25 WO disclosed