SCHEMBL11391897

SCHEMBL11391897

C[C@@H](C/C=C/C(=O)COc1ccccc1Cl)CCCC(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HPGD P15428 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TRPM4 Q8TD43 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35
▸ SSTR4 P31391 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ SSTR1 P30872 1/20 0.35
▸ GAA P10253 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
SCHEMBL11395063 0.84 MAPT (0.39) KMT2AMEN1HPGDSMN1; SMN2RAB9A
SCHEMBL11392990 0.82 PPARA (0.40) KMT2APOLBMEN1HPGDRAB9A
SCHEMBL11400055 0.81 POLB (0.45) POLBKDM4EPPARGPPARDGAA
SCHEMBL11398878 0.79 SLC6A2 (0.37) TDP1
SCHEMBL11407909 0.76 HPGD (0.46) KMT2AMEN1HPGDSMN1; SMN2TDP1
SCHEMBL11394250 0.76 MAPT (0.39) POLBTSHRMAPTTDP1
SCHEMBL11395959 0.75 AKT1 (0.46) KMT2AHPGDRAB9AMAPTRECQL
SCHEMBL11391703 0.74 GPR52 (0.51) KMT2AMEN1RAB9AMAPTL3MBTL1
SCHEMBL11395451 0.73 FFAR1 (0.38) KMT2AMEN1SMN1; SMN2MAPTTDP1
SCHEMBL11402166 0.73 LMNA (0.44) HPGDSMN1; SMN2RAB9ATDP1

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-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 — — EP disclosed
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