SCHEMBL4413617

SCHEMBL4413617

NCCCc1cccc(/C=C/c2ccc(Cl)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
AHR P35869 1/20 0.42
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
CHAT P28329 1/20 0.41
PLAU P00749 1/20 0.40
RELA Q04206 1/20 0.40
NFE2L2 Q16236 1/20 0.39
CYP19A1 P11511 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL4169512 1.00 TAAR1 (0.46) TAAR1AHRHDAC4MEF2DCHAT
SCHEMBL4169517 1.00 TAAR1 (0.46) TAAR1AHRHDAC4MEF2DCHAT
SCHEMBL4175681 0.89 TAAR1 (0.56) TAAR1CHATRELAGRIN1GRIN2B
SCHEMBL4175683 0.89 TAAR1 (0.56) TAAR1CHATRELAGRIN1GRIN2B
SCHEMBL4172616 0.83 TAAR1 (0.41) TAAR1PLAUMAOA
SCHEMBL4172611 0.83 TAAR1 (0.41) TAAR1PLAUMAOA
SCHEMBL4168931 0.81 RELA (0.58) TAAR1AHRRELANFE2L2CYP19A1
SCHEMBL4168924 0.81 RELA (0.58) TAAR1AHRRELANFE2L2CYP19A1
SCHEMBL4412735 0.80 TAAR1 (0.45) TAAR1HDAC4MEF2DPLAUNFE2L2
SCHEMBL4412729 0.80 TAAR1 (0.45) TAAR1HDAC4MEF2DPLAUNFE2L2

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