SCHEMBL9820503

SCHEMBL9820503

CCCCCCC(C)OC(=O)C(C)=Cc1ccc(OC(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSP90AA1 P07900 2/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ESR1 P03372 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
NPC1 O15118 2/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL10613245 1.00 ABCG2 (0.42) ABCG2MAPTALDH1A1KMT2AMEN1
SCHEMBL10610895 0.93 MAPT (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL9820459 0.93 MAPT (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10611733 0.91 NPC1 (0.52) MAPTKMT2ALMNASMN1; SMN2CYP1A2
SCHEMBL9820579 0.91 NPC1 (0.52) MAPTKMT2ALMNASMN1; SMN2CYP1A2
SCHEMBL10623765 0.91 NPC1 (0.52) MAPTKMT2ALMNASMN1; SMN2CYP1A2
SCHEMBL10614070 0.91 NPC1 (0.52) MAPTKMT2ALMNASMN1; SMN2CYP1A2
SCHEMBL9820637 0.89 FAAH (0.47) ABCG2MAPTALDH1A1KMT2AKDM4E
SCHEMBL9820633 0.89 FAAH (0.47) ABCG2MAPTALDH1A1KMT2AKDM4E
SCHEMBL10611748 0.89 FAAH (0.47) ABCG2MAPTALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240184-B1 ALPHA-METHYLCINNAMIC ACID ESTER DERIVATIVE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1991-08-21 EP disclosed
US-4751018-A DISCOLORATION INHIBITION MITSUBISHI RAYON COMPANY LTD. (JP) 1988-06-14 US disclosed
EP-0240184-A2 Alpha-Methylcinnamic acid ester derivative and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1987-10-07 EP disclosed