SCHEMBL19851390

SCHEMBL19851390

CCCCOc1ccc(C(=O)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.61
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLA2G4B P0C869 1/20 0.48

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
SCHEMBL19845096 1.00 BCHE (0.61) BCHEALDH1A1HPGDTP53TSHR
SCHEMBL15020956 0.96 BCHE (0.58) BCHETP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL14770080 0.96 BCHE (0.58) BCHETP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL9604195 0.96 BCHE (0.58) BCHETP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL18589725 0.96 BCHE (0.58) BCHETP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL16866936 0.96 BCHE (0.58) BCHETP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL12057487 0.96 BCHE (0.58) BCHETP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL16436164 0.93 RARB (0.59) BCHETP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL16436174 0.93 BCHE (0.55) BCHETP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL15693577 0.92 BCHE (0.54) BCHETP53TSHRSMN1; SMN2PLA2G4B

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-10655066-B2 Optical isomer DIC CORPORATION (JP) 2020-05-19 US disclosed
US-20180037819-A1 OPTICAL ISOMER SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2018-02-08 US disclosed