SCHEMBL9820463

SCHEMBL9820463

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.59
HSD17B10 Q99714 1/20 0.58
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ESR1 P03372 2/20 0.47
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
AR P10275 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
Hydrochloric Acid SCHEMBL9820527 0.98 ELANE (0.58) ELANEHSD17B10NR4A1NR4A2NR4A3
SCHEMBL17419290 0.85 ELANE (0.59) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL6655424 0.83 CA1 (0.59) NR4A1NR4A2NR4A3MAPTALDH1A1
SCHEMBL6655419 0.83 CA1 (0.59) NR4A1NR4A2NR4A3MAPTALDH1A1
SCHEMBL6655426 0.83 CA1 (0.59) NR4A1NR4A2NR4A3MAPTALDH1A1
SCHEMBL10632135 0.83 KMT2A (0.60) ELANENR4A1NR4A2NR4A3MEN1
Fenabutene SCHEMBL28884547 0.82 ELANE (0.60) ELANEHSD17B10LMNAMEN1KMT2A
Fenabutene SCHEMBL28884548 0.82 ELANE (0.60) ELANEHSD17B10LMNAMEN1KMT2A
Fenabutene SCHEMBL2111368 0.82 ELANE (0.60) ELANEHSD17B10LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9445571 0.81 CA1 (0.57) NR4A1NR4A2NR4A3MAPTALDH1A1

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