SCHEMBL21101680

SCHEMBL21101680

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c3)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
BACE1 P56817 1/20 0.38
HSD17B1 P14061 1/20 0.38
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
GAPDH P04406 2/20 0.36
SLC2A1 P11166 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
EPHX1 P07099 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CFD P00746 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SNCA P37840 1/20 0.33
ADORA2A P29274 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20174158 0.96 ELANE (0.43) ELANEKMT2AATMBACE1HSD17B1
SCHEMBL15338918 0.92 GAPDH (0.42) ELANEKMT2AATMBACE1HSD17B1
SCHEMBL940907 0.92 ELANE (0.48) ELANEKMT2AATMBACE1HSD17B1
SCHEMBL21483023 0.90 ELANE (0.44) ELANEKMT2AATMBACE1HSD17B1
SCHEMBL17625853 0.90 ELANE (0.47) ELANEKMT2AATMBACE1HSD17B1
SCHEMBL18084052 0.87 MAPT (0.39) ELANEGAPDHSLC2A1ADORA3EPHX1
SCHEMBL15960974 0.87 ELANE (0.49) ELANEKMT2AATMBACE1HSD17B1
SCHEMBL15625536 0.87 ELANE (0.51) ELANEKMT2AATMBACE1HSD17B1
SCHEMBL16803381 0.87 ELANE (0.51) ELANEKMT2AATMBACE1HSD17B1
SCHEMBL17625832 0.87 BACE1 (0.46) ELANEKMT2AATMBACE1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078421-B2 Liquid crystal composition and display using composition SHIJIAZHUANG CHENGZHI YOUNGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-08-03 US disclosed
US-11015122-B2 Liquid crystal composition and liquid crystal display element SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-05-25 US disclosed
US-20190316038-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY USING COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-10-17 US disclosed
US-20190185752-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-06-20 US disclosed