SCHEMBL9820525

SCHEMBL9820525

CC(=O)Oc1ccc(C=C(C)C(=O)Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TTR P02766 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45

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
SCHEMBL9820523 1.00 MAPT (0.53) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL1100400 0.84 AKR1C3 (0.60) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL15653604 0.84 ALDH1A1 (0.52) MAPTKDM4ETTRCYP3A4TUBB1
SCHEMBL1100398 0.84 AKR1C3 (0.60) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL15653602 0.84 ALDH1A1 (0.52) MAPTKDM4ETTRCYP3A4TUBB1
SCHEMBL10453434 0.81 MAPT (0.56) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL872233 0.81 MAPT (0.59) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL5356686 0.81 MAPT (0.51) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL5356681 0.81 MAPT (0.51) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL11715595 0.77 TRPA1 (0.58) ALDH1A1HSD17B10AKR1C3NPC1RAB9A

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