SCHEMBL26044728

SCHEMBL26044728

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
APP P05067 2/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
BACE1 P56817 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ADORA3 P0DMS8 1/20 0.33
DHODH Q02127 2/20 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
SCHEMBL26144166 0.93 ELANE (0.38) ELANEKMT2AATMAPPCYP2C19
SCHEMBL26144167 0.93 AKR1C3 (0.39) ELANEKMT2AATMAPPCYP2C19
SCHEMBL26144174 0.92 AKR1C3 (0.42) KMT2AAPPCYP2C19AKR1C3AKR1C2
SCHEMBL22219351 0.91 ELANE (0.39) ELANEKMT2AATMAPPCYP2C19
SCHEMBL26144176 0.90 ELANE (0.36) ELANEKMT2AATMAPPCYP2C19
SCHEMBL26144150 0.90 AKR1C3 (0.38) ELANEKMT2AATMAPPCYP2C19
SCHEMBL21101679 0.90 ELANE (0.43) ELANEKMT2AATMAPPCYP2C19
SCHEMBL26044730 0.90 AKR1C3 (0.40) AKR1C3AKR1C2FFAR4FFAR1PTGS2
SCHEMBL26144165 0.90 AKR1C3 (0.40) AKR1C3AKR1C2FFAR4FFAR1PTGS2
SCHEMBL9607895 0.90 ELANE (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed