SCHEMBL11233672

SCHEMBL11233672

C=CCN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
DNM1 Q05193 3/20 0.44
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 6/20 0.39
FAAH O00519 1/20 0.38
THRB P10828 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35

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
SCHEMBL8423278 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL8421983 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL22157373 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL28760238 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL6159782 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL28485740 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL2156532 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL8850444 0.98 TSHR (0.46) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL22157363 0.98 TSHR (0.46) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL4140633 0.98 TSHR (0.44) TSHRDNM1ALDH1A1KCNH2FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338204-A Detergent softener containing anionic, amine, and water soluble cationic THE PROCTER & GAMBLE COMPANY (US) 1982-07-06 US claimed