Boropinal

Boropinal

SCHEMBL18265488

COc1cc(/C=C/C=O)ccc1OCC=C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 1.00
TRPA1 O75762 1/20 1.00
PTGES O14684 10/20 0.70
XDH P47989 1/20 0.61
ALOX5 P09917 1/20 0.58
PDE4B Q07343 1/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
FDPS P14324 2/20 0.52
POLB P06746 1/20 0.51
APP P05067 1/20 0.48

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
SCHEMBL18265479 0.89 MTNR1A (0.80) MTNR1ATRPA1PTGESXDHALOX5
SCHEMBL5599547 0.86 MTNR1A (0.75) MTNR1ATRPA1PTGESALOX5FDPS
SCHEMBL3208266 0.84 PTGES (0.83) MTNR1ATRPA1PTGESALOX5HDAC3
SCHEMBL3208260 0.84 PTGES (0.83) MTNR1ATRPA1PTGESALOX5HDAC3
SCHEMBL18265491 0.83 TRPA1 (0.71) MTNR1ATRPA1PTGESXDHALOX5
Boropinic Acid SCHEMBL16792175 0.83 PTGES (0.81) MTNR1ATRPA1PTGESALOX5HDAC3
SCHEMBL18265483 0.82 MTNR1A (0.70) MTNR1ATRPA1PTGESALOX5PDE4B
SCHEMBL25747640 0.82 POLB (0.75) MTNR1ATRPA1PTGESXDHHDAC1
SCHEMBL9958093 0.82 PTGES (0.79) MTNR1ATRPA1PTGESALOX5HDAC3
SCHEMBL11869754 0.81 TRPA1 (0.68) MTNR1ATRPA1XDHFDPSPOLB

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-3097904-B1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN AFFICHEM (FR) 2019-08-14 EP disclosed
WO-2016193220-A1 SKIN PIGMENTATION MODIFIERS TO DARKEN OR LIGHTEN THE SKIN AFFICHEM (FR) 2016-12-08 WO disclosed
EP-3097904-A1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN Affichem (FR) 2016-11-30 EP disclosed