SCHEMBL5306235

SCHEMBL5306235

CCc1cc(CC)c[n+](C(CC)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 3/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP1A2 P05177 2/20 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
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
CYP19A1 P11511 1/20 0.35
HTR2A P28223 3/20 0.34
HRH1 P35367 2/20 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
SCHEMBL5287438 0.88 HTR2A (0.37) TP53CRHBPCRHR2LMNAOPRM1
SCHEMBL5293915 0.85 HTR2A (0.45) LMNAOPRM1OPRL1ALDH1A1HTR2A
SCHEMBL5305808 0.83 HTR2A (0.51) OPRL1CYP3A4CYP19A1HTR2A
SCHEMBL5293853 0.83 TP53 (0.47) TP53CRHBPCRHR2LMNAOPRM1
SCHEMBL5297565 0.82 HTR2A (0.54) TP53LMNACYP3A4ALDH1A1CYP19A1
SCHEMBL5284369 0.82 HTR2A (0.54) TP53LMNACYP3A4ALDH1A1CYP19A1
SCHEMBL5301734 0.82 HTR2A (0.54) TP53LMNACYP3A4ALDH1A1CYP19A1
SCHEMBL5292993 0.82 HTR2A (0.54) TP53LMNACYP3A4ALDH1A1CYP19A1
SCHEMBL5285257 0.82 HTR2A (0.54) TP53LMNACYP3A4ALDH1A1CYP19A1
SCHEMBL5297202 0.82 HTR2A (0.54) TP53LMNACYP3A4ALDH1A1CYP19A1

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