SCHEMBL20118632

SCHEMBL20118632

Cc1ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
APP P05067 3/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC18A3 Q16572 1/20 0.38
S1PR1 P21453 4/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL21741418 0.98 CYP3A4 (0.54) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL13083626 0.91 CYP3A4 (0.55) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL19493506 0.87 CYP3A4 (0.43) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL802781 0.87 CYP3A4 (0.43) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL25573804 0.87 CYP3A4 (0.51) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL18458513 0.87 CYP3A4 (0.57) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL18411545 0.87 CYP3A4 (0.57) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL18509777 0.86 APP (0.48) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL18855109 0.85 CYP3A4 (0.53) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL18568529 0.85 CYP3A4 (0.53) CYP3A4APPCYP2C9CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11162028-B2 Liquid crystal composition and application thereof JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-11-02 US disclosed
US-20210017450-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HAVING SAME JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-01-21 US disclosed
US-20200339884-A1 LIQUID CRYSTAL COMPOSITION AND USE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-10-29 US disclosed
US-20200123442-A1 LIQUID CRYSTAL COMPOSITION AND APPLICATION THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-04-23 US disclosed
WO-2018077765-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 WO disclosed