SCHEMBL18265477

SCHEMBL18265477

COc1cc(/C=C/C(=O)O)ccc1OC/C=C(\C)CCC=C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 1.00
PTGES O14684 10/20 0.84
HDAC3 O15379 1/20 0.76
HDAC4 P56524 1/20 0.76
HDAC1 Q13547 1/20 0.76
HDAC7 Q8WUI4 1/20 0.76
HDAC2 Q92769 1/20 0.76
HDAC10 Q969S8 1/20 0.76
HDAC11 Q96DB2 1/20 0.76
HDAC8 Q9BY41 1/20 0.76
HDAC6 Q9UBN7 1/20 0.76
HDAC9 Q9UKV0 1/20 0.76
HDAC5 Q9UQL6 1/20 0.76
SNCA P37840 2/20 0.61
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL16792056 1.00 MTNR1A (1.00) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL16792042 0.99 MTNR1A (0.98) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL18265494 0.99 MTNR1A (0.98) MTNR1APTGESHDAC3HDAC4HDAC1
Boropinic Acid SCHEMBL16792175 0.90 PTGES (0.81) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL7043916 0.87 PTGES (0.77) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL21251434 0.86 PTGES (0.76) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL25218033 0.86 PTGES (0.74) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL18265479 0.85 MTNR1A (0.80) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL21251459 0.85 PTGES (0.76) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL18265473 0.84 MAPT (0.75) MTNR1APTGESHDAC3HDAC4HDAC1

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
EP-3097904-B1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN AFFICHEM (FR) 2019-08-14 EP disclosed
EP-3097904-A1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN Affichem (FR) 2016-11-30 EP disclosed