SCHEMBL20172055

SCHEMBL20172055

C=C(C)C(=O)Oc1ccc(-c2ccc(C(OC)C(C)(C)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALOX5 P09917 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ACACB O00763 3/20 0.32
▸ ACACA Q13085 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL18806020 0.89 ELANE (0.43) ELANEKMT2AATMSMN1; SMN2HSD17B10
SCHEMBL23255224 0.86 ELANE (0.43) ELANEKMT2AATMHSD17B10ACACB
SCHEMBL25570168 0.86 ELANE (0.41) ELANEKMT2AATMHSD17B10ACACB
SCHEMBL21231952 0.85 ELANE (0.40) ELANEKMT2AATMHSD17B10MAPT
SCHEMBL20172068 0.84 AKR1C3 (0.39) ELANEKMT2AATMALOX5MAPT
SCHEMBL18808040 0.83 ELANE (0.46) ELANEKMT2AATMHSD17B10ACACB
SCHEMBL18806039 0.83 ELANE (0.41) ELANEKMT2AATMMAPTACACB
SCHEMBL18806033 0.83 ELANE (0.39) ELANEKMT2AATMHSD17B10ACACB
SCHEMBL18806035 0.82 ELANE (0.38) ELANEKMT2AATMHSD17B10MAPT
SCHEMBL21231953 0.81 MAPT (0.42) KMT2ASMN1; SMN2ALOX5MAPTACACB

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-3162875-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2018-05-23 — — EP disclosed
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