SCHEMBL10764708

SCHEMBL10764708

C=C(CCCCCCCCCCCCCCCC(C)C)COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.40
TSHR P16473 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
FAAH O00519 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.35
CTSB P07858 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
SCHEMBL10795241 0.84 CETP (0.47) TSHRKMT2A
SCHEMBL9496959 0.84 CETP (0.47) TSHRKMT2A
SCHEMBL10652311 0.77 L3MBTL1 (0.54) MMP9TSHR
SCHEMBL10653320 0.77 L3MBTL1 (0.54) MMP9TSHR
SCHEMBL16055690 0.77 L3MBTL1 (0.54) MMP9TSHR
SCHEMBL29346470 0.76 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL6119293 0.75 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL6119415 0.73 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL19040806 0.73 L3MBTL1 (0.50) TSHRFAAH
SCHEMBL31647594 0.73 EPHX2 (0.46) MMP9CTSB

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
EP-0213082-A1 Substituted hydroxy-heterocyclyl-alkoxy phosphinyloxy trialkylaminium hydroxide inner salt oxides, processes for their preparation and their use as pharmaceuticals SANDOZ AG (CH) 1987-03-04 EP disclosed