SCHEMBL20344359

SCHEMBL20344359

C=C(C)C(=O)Oc1ccc(C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
KMT2A Q03164 4/20 0.44
ATM Q13315 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
ACHE P22303 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
GLA P06280 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PRNP P04156 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
SCHEMBL17794409 0.88 ELANE (0.47) ELANEKMT2AATMMRGPRX4ACHE
SCHEMBL17355719 0.87 ELANE (0.47) ELANEKMT2AATMACHETDP1
SCHEMBL9575341 0.87 MRGPRX4 (0.42) ELANEKMT2AMRGPRX4ACHEHDAC1
SCHEMBL12636054 0.86 ELANE (0.50) ELANEKMT2AATMTDP1POLB
SCHEMBL9607783 0.85 ELANE (0.49) ELANEKMT2AATMTDP1POLB
SCHEMBL17304967 0.84 ELANE (0.43) ELANEKMT2AATMACHETDP1
SCHEMBL23795424 0.84 ELANE (0.51) ELANEKMT2AATMACHETDP1
SCHEMBL30692737 0.84 ELANE (0.51) ELANEKMT2AATMACHETDP1
SCHEMBL26045249 0.84 AKR1C3 (0.47) ELANEKMT2AATMACHE
SCHEMBL32667335 0.83 ELANE (0.47) ELANEKMT2AATMTDP1POLB

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-3331965-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-01-05 EP disclosed
EP-3130650-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-07-04 EP disclosed