SCHEMBL21322372

SCHEMBL21322372

C=C(C)C(=O)OOOOc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.48
ACACA Q13085 4/20 0.48
ELANE P08246 1/20 0.42
PTGS1 P23219 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GSTP1 P09211 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MCL1 Q07820 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
BCL2L1 Q07817 1/20 0.37
SRD5A2 P31213 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
SCHEMBL16259055 0.85 ELANE (0.47) ELANEHPGD
SCHEMBL632410 0.78 ELANE (0.50) ELANEHPGD
SCHEMBL31567523 0.75 ELANE (0.70) ELANEHSP90AA1PARP10HPGDSMN1; SMN2
Methacrylic Acid SCHEMBL2939572 0.75 ELANE (0.47) ELANEHPGD
SCHEMBL11987069 0.73 ELANE (0.55) ACACBACACAELANEHSP90AA1HSP90AB1
SCHEMBL11987070 0.73 ELANE (0.55) ACACBACACAELANEHSP90AA1HSP90AB1
SCHEMBL19651327 0.73 ELANE (0.57) ACACBACACAELANEPARP10HPGD
SCHEMBL16133520 0.73 ELANE (0.57) ACACBACACAELANEPARP10HPGD
SCHEMBL9915726 0.72 ELANE (0.54) ACACBACACAELANEHSP90AA1HSP90AB1
Ethylene Glycol SCHEMBL2979502 0.72 ELANE (0.45) ELANEHPGD

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-2520972-B1 Liquid crystal display device alignment film, and method for manufacturing the same SAMSUNG DISPLAY CO LTD (KR) 2019-09-04 EP disclosed