SCHEMBL5290287

SCHEMBL5290287

CCC(c1ccccc1)[n+]1cc(C)cc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TACR1 P25103 5/20 0.36
HTR2A P28223 4/20 0.35
HRH1 P35367 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5295984 0.82 LMNA (0.41) LMNAHTTSMN1; SMN2TSHRHTR2A
SCHEMBL5287867 0.80 LMNA (0.38) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5306235 0.80 TP53 (0.45) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL5292306 0.79 LMNA (0.41) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5287438 0.79 HTR2A (0.37) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5282777 0.76 LMNA (0.45) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5293915 0.76 HTR2A (0.45) LMNAHTR2AALDH1A1SIGMAR1
SCHEMBL5295995 0.75 LMNA (0.37) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5305808 0.75 HTR2A (0.51) CYP3A4HTR2A
Bromide SCHEMBL2745044 0.74 LMNA (0.33) LMNAHTTSMN1; SMN2

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed