SCHEMBL21101679

SCHEMBL21101679

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c3)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
APP P05067 5/20 0.40
CYP2C19 P33261 3/20 0.40
BACE1 P56817 1/20 0.38
ERN1 O75460 1/20 0.36
GAPDH P04406 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CFD P00746 1/20 0.33
FEN1 P39748 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL21483025 0.96 ELANE (0.42) ELANEKMT2AATMAPPCYP2C19
SCHEMBL24440893 0.94 APP (0.39) ELANEKMT2AATMAPPCYP2C19
SCHEMBL15338894 0.93 APP (0.39) KMT2AAPPCYP2C19ERN1GAPDH
SCHEMBL15338821 0.92 GAPDH (0.41) KMT2AAPPCYP2C19ERN1GAPDH
SCHEMBL9607895 0.92 ELANE (0.47) ELANEKMT2AATMAPPCYP2C19
SCHEMBL17625821 0.91 ELANE (0.42) ELANEKMT2AATMAPPCYP2C19
SCHEMBL15339120 0.91 AKR1C3 (0.41) ELANEKMT2AATMAPPCYP2C19
SCHEMBL15338898 0.91 GAPDH (0.40) KMT2AAPPCYP2C19ERN1GAPDH
SCHEMBL16573116 0.90 APP (0.36) ELANEKMT2AATMAPPCYP2C19
SCHEMBL15339164 0.90 ELANE (0.38) ELANEKMT2AATMAPPCYP2C19

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