SCHEMBL26044944

SCHEMBL26044944

CCCCOc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CYP2D6 P10635 5/20 0.47
CYP3A4 P08684 4/20 0.47
CYP1A2 P05177 5/20 0.45
CYP2C9 P11712 5/20 0.45
CYP2C19 P33261 5/20 0.45
CYP19A1 P11511 4/20 0.45
RAB9A P51151 3/20 0.43
PTPN11 Q06124 1/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL9495965 0.95 PTPN11 (0.49) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL9563905 0.94 RARB (0.50) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL26044941 0.94 SMN1; SMN2 (0.44) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL9493277 0.89 ALDH1A1 (0.49) LMNASMN1; SMN2MAPTALDH1A1CYP2D6
SCHEMBL26044945 0.89 CYP3A4 (0.51) LMNASMN1; SMN2MAPTALDH1A1CYP2D6
SCHEMBL25693801 0.88 CNR2 (0.41) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL9494645 0.88 CYP3A4 (0.57) LMNASMN1; SMN2MAPTALDH1A1CYP2D6
SCHEMBL9563775 0.88 CYP3A4 (0.49) LMNASMN1; SMN2ALDH1A1CYP2D6CYP3A4
SCHEMBL24025302 0.87 NQO1 (0.48) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL9494586 0.87 NR5A1 (0.56) ALDH1A1HPGDCYP2D6CYP3A4CYP1A2

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
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