SCHEMBL11411963

SCHEMBL11411963

CCCCCCCCCCC[PH](CCCCCCCCCCC)(CC(C)C)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.40
DNM1 Q05193 5/20 0.35
TRPM8 Q7Z2W7 5/20 0.33
OPRM1 P35372 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL11422094 1.00 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL11411961 1.00 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL11526261 0.95 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL3317701 0.95 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL7179871 0.95 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL16666238 0.95 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL11575499 0.95 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL11522998 0.95 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL10009319 0.91 TSHR (0.36) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL11420134 0.91 TSHR (0.36) TSHRTHRBDNM1TRPM8OPRM1

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-4188380-A Surface active quaternary higher dialkyl phosphonium salt biocides and intermediates EXXON RESEARCH & ENGINEERING CO. (US) 1980-02-12 US disclosed