SCHEMBL11530809

SCHEMBL11530809

C=CCN(CC=C)C(CCCCCC)N(CC=C)CC=C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
FDPS P14324 3/20 0.33
GPR84 Q9NQS5 2/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL11863879 1.00 TSHR (0.44) TSHRALDH1A1LMNADNM1ADH1B
SCHEMBL24784724 0.85 TSHR (0.43) TSHRALDH1A1LMNADNM1ADH1B
SCHEMBL1137443 0.83 TSHR (0.41) TSHRALDH1A1LMNADNM1ADH1B
SCHEMBL24785613 0.83 TSHR (0.41) TSHRALDH1A1LMNADNM1ADH1B
Hydrochloric Acid SCHEMBL6705010 0.82 TSHR (0.32) TSHR
SCHEMBL3806771 0.82 TSHR (0.40) TSHRLMNAPLA2G1BFDPSGPR84
Hydrochloric Acid SCHEMBL28838225 0.82 TSHR (0.40) TSHRALDH1A1LMNADNM1ADH1B
Bromide SCHEMBL28902969 0.82 TSHR (0.40) TSHRALDH1A1LMNADNM1ADH1B
Hydrochloric Acid SCHEMBL11680488 0.82 TSHR (0.40) TSHRALDH1A1LMNADNM1ADH1B
Hydrochloric Acid SCHEMBL11303952 0.82 TSHR (0.40) TSHRALDH1A1LMNADNM1ADH1B

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-4139499-A Thermally reversible amphoteric ion exchange resins of improved demineralization capacity ICI AUSTRALIA LIMITED (AU) 1979-02-13 US disclosed