SCHEMBL27993498

SCHEMBL27993498

CCCCCCCCCC(Cl)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
FDPS P14324 10/20 0.38
SMPD1 P17405 5/20 0.38
ALDH1A1 P00352 1/20 0.36
GGPS1 O95749 6/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL28329290 1.00 TSHR (0.38) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL28878328 1.00 TSHR (0.38) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL28328089 1.00 TSHR (0.38) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL28329221 1.00 TSHR (0.38) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL28328066 0.98 FDPS (0.35) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL10673804 0.79
SCHEMBL9694203 0.79
Ether SCHEMBL5135488 0.76 TSHR (0.38) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL23579190 0.75 TSHR (0.42) TSHRTHRBFDPSSMPD1GGPS1
SCHEMBL8846370 0.75 TSHR (0.42) TSHRTHRBFDPSSMPD1GGPS1

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
CN-102203039-B Synthetic navel orangeworm pheromone composition and methods relating to production of same SUTERRA LLC 2014-12-17 CN claimed