SCHEMBL4414342

SCHEMBL4414342

COc1ccc2ccccc2c1/C=C/c1cccc(CCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
LMNA P02545 3/20 0.41
CYP1B1 Q16678 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4414344 1.00 ALDH1A1 (0.43) ALDH1A1MTNR1AMTNR1BLMNACYP1B1
SCHEMBL4165347 0.89 ALDH1A1 (0.46) ALDH1A1LMNACYP1B1TDP1L3MBTL1
SCHEMBL4165354 0.89 ALDH1A1 (0.46) ALDH1A1LMNACYP1B1TDP1L3MBTL1
SCHEMBL4186151 0.85 PDE10A (0.41) ALDH1A1LMNACYP1B1TDP1L3MBTL1
SCHEMBL4186145 0.85 PDE10A (0.41) ALDH1A1LMNACYP1B1TDP1L3MBTL1
SCHEMBL4175190 0.82 NR1H3 (0.49) ALDH1A1CYP1B1TDP1L3MBTL1NR1H3
SCHEMBL4175183 0.82 NR1H3 (0.49) ALDH1A1CYP1B1TDP1L3MBTL1NR1H3
SCHEMBL27797359 0.81 MTNR1A (0.46) MTNR1AMTNR1BCYP1B1BACE1HPGD
SCHEMBL8800149 0.81 MTNR1A (0.46) MTNR1AMTNR1BCYP1B1BACE1HPGD
SCHEMBL4172051 0.80 NR1H3 (0.55) ALDH1A1LMNATDP1L3MBTL1RAB9A

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-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed