SCHEMBL9820519

SCHEMBL9820519

CCCC(C)OC(=O)/C(C)=C/c1ccc(OC(=O)c2ccccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.46
HSD17B10 Q99714 4/20 0.46
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
HSP90AA1 P07900 2/20 0.43
LMNA P02545 4/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
POLB P06746 1/20 0.36
MAOB P27338 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36

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
SCHEMBL10611552 0.92 ALDH1A1 (0.48) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL9820481 0.79 ALDH1A1 (0.42) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL28429232 0.76 ALDH1A1 (0.57) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL9820503 0.75 ABCG2 (0.42) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL10613245 0.75 ABCG2 (0.42) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL9820459 0.74 MAPT (0.42) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL10610895 0.74 MAPT (0.42) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL10611733 0.72 NPC1 (0.52) KMT2AMAPTLMNAPOLBCYP2D6
SCHEMBL10623765 0.72 NPC1 (0.52) KMT2AMAPTLMNAPOLBCYP2D6
SCHEMBL9820579 0.72 NPC1 (0.52) KMT2AMAPTLMNAPOLBCYP2D6

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