SCHEMBL11233675

SCHEMBL11233675

C=CC(N)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
SMPD1 P17405 4/20 0.42
FDPS P14324 2/20 0.42
THRB P10828 1/20 0.38
DNM1 Q05193 5/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
GGPS1 O95749 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
SCHEMBL18577887 1.00 TSHR (0.42) TSHRSMPD1FDPSTHRBDNM1
SCHEMBL16594935 0.98 FDPS (0.40) TSHRSMPD1FDPSTHRBDNM1
SCHEMBL16714816 0.90 FDPS (0.38) TSHRSMPD1FDPSALDH1A1
SCHEMBL517213 0.79 FDPS (0.33) TSHRFDPS
SCHEMBL28869075 0.79 SMPD1 (0.41) TSHRSMPD1FDPSTHRBDNM1
SCHEMBL28274522 0.79 SMPD1 (0.41) TSHRSMPD1FDPSTHRBDNM1
SCHEMBL28272162 0.79 SMPD1 (0.41) TSHRSMPD1FDPSTHRBDNM1
SCHEMBL28272071 0.79 SMPD1 (0.41) TSHRSMPD1FDPSTHRBDNM1
SCHEMBL21370372 0.77 FDPS (0.38) TSHRSMPD1FDPSALDH1A1
SCHEMBL17479115 0.77 TSHR (0.48) TSHRSMPD1FDPSTHRBALDH1A1

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