SCHEMBL11208710

SCHEMBL11208710

COC(=O)OC1(CCCc2ccc(C(C)(C)C)cc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ESRRG P62508 5/20 0.41
NR1H4 Q96RI1 2/20 0.40
SIGMAR1 Q99720 4/20 0.39
S1PR1 P21453 1/20 0.39
ACACB O00763 2/20 0.38
ESRRB O95718 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.37
EPHX2 P34913 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL11204042 0.85 POLB (0.37) LMNAACACBMEN1KMT2AL3MBTL1
SCHEMBL11210933 0.84 KMT2A (0.41) EPHX2KMT2A
SCHEMBL11210936 0.81 NAAA (0.40)
SCHEMBL11267481 0.80 LMNA (0.44) LMNAESRRGNR1H4SIGMAR1S1PR1
SCHEMBL11210382 0.79 TSHR (0.44) MEN1KMT2ATRPV1
SCHEMBL11201248 0.76 SMN1; SMN2 (0.52) ACACBMEN1KMT2A
SCHEMBL11018542 0.75 KDM4E (0.38) LMNAMEN1KMT2ACA1CA2
SCHEMBL11018732 0.75 RAB9A (0.37) LMNARAB9AMEN1KMT2A
SCHEMBL11205749 0.74 CTDSP1 (0.38) LMNAMEN1KMT2A
SCHEMBL11208506 0.74 PPARA (0.37) LMNAS1PR1ACACBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP disclosed