SCHEMBL11142870

SCHEMBL11142870

CCCC(CC#N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.41
▸ MME P08473 3/20 0.41
▸ ACE P12821 2/20 0.41
▸ CPA1 P15085 2/20 0.41
▸ ACE2 Q9BYF1 2/20 0.41
▸ CTSC P53634 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CTSH P09668 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CTSS P25774 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ NAAA Q02083 1/20 0.37
▸ BDKRB2 P30411 3/20 0.37
▸ PYCR1 P32322 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL11141534 0.79 MME (0.44) MMEACECPA1ACE2NPC1
SCHEMBL11142800 0.79 MME (0.41) MMEACECPA1ACE2BDKRB2
SCHEMBL22868014 0.75 MAOB (0.47) CTSKCYP1A2CTSSMAOBTAAR1
SCHEMBL11145476 0.75 MMP12 (0.53) MMEACECPA1ACE2NPC1
SCHEMBL18807783 0.74 MME (0.47) CTSKMMEACECPA1ACE2
SCHEMBL9543263 0.73 SIGMAR1 (0.48) CYP1A2CYP2D6TAAR1SIGMAR1
SCHEMBL1047441 0.73 SIGMAR1 (0.48) CYP2D6TAAR1SIGMAR1
SCHEMBL10720375 0.73 SIGMAR1 (0.46) MMEACECPA1ACE2BDKRB2
SCHEMBL18092320 0.72 BDKRB2 (0.51) MMEACECPA1ACE2CYP3A4
SCHEMBL9468396 0.71 EPHX1 (0.52) CTSKMMEACECPA1ACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4386007-A ELECTROOPTIC DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-05-31 — — US disclosed
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