SCHEMBL14948331

SCHEMBL14948331

CC[N+](CC)(CC)Cc1cc(C)c(N(c2ccc(C)cc2)c2ccc(C)cc2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL14948397 0.86 TSHR (0.34) ALDH1A1TSHRCYP2C19
SCHEMBL14948315 0.82 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19
SCHEMBL14948442 0.77 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19
SCHEMBL14948340 0.76 TAAR1 (0.30)
SCHEMBL14948317 0.76 SLC6A2 (0.37) ALDH1A1TSHRCYP2C19
SCHEMBL12018763 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19
SCHEMBL682063 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19
SCHEMBL12404659 0.75 IDO1 (0.44) ALDH1A1
SCHEMBL14948321 0.74 SLC6A2 (0.36) CYP2C19
SCHEMBL15854847 0.74 SKP2 (0.47) ALDH1A1TSHRCYP2C19

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
US-9184388-B2 Layered structure, electronic device using same, aromatic compound, and method for manufacturing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-10 US disclosed
US-20130119369-A1 LAYERED STRUCTURE, ELECTRONIC DEVICE USING SAME, AROMATIC COMPOUND, AND METHOD FOR MANUFACTURING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 US disclosed