SCHEMBL8553931

SCHEMBL8553931

C=CC(=O)NCC/C(=C\c1ccc(F)c(Br)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPEP1 P16444 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ EGFR P00533 6/20 0.35
▸ TGM2 P21980 4/20 0.35
▸ ERBB2 P04626 3/20 0.35
▸ VCP P55072 1/20 0.34
▸ MAOA P21397 4/20 0.34
▸ MAOB P27338 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PTP4A3 O75365 1/20 0.32
▸ PTP4A1 Q93096 1/20 0.32

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
SCHEMBL8545460 0.89 ALDH1A1 (0.34) DPEP1TDP1NPC1RAB9ATGM2
SCHEMBL8549387 0.86 DPEP1 (0.42) DPEP1EGFRERBB2
SCHEMBL8550321 0.84 DPEP1 (0.41) DPEP1TDP1NPC1RAB9AEGFR
SCHEMBL8551807 0.82 TGM2 (0.43) DPEP1TDP1TGM2ALDH1A1TSHR
SCHEMBL8551790 0.81 MAPT (0.39) TGM2
SCHEMBL9408933 0.79 PYGL (0.50) DPEP1NPC1RAB9AALDH1A1MAPK1
SCHEMBL8552907 0.78 ALDH1A1 (0.47) EGFRTGM2MAOAMAOBALDH1A1
SCHEMBL8547481 0.77 TGM2 (0.43) TDP1NPC1RAB9ATGM2ALDH1A1
SCHEMBL8551077 0.77 RAB9A (0.37) TDP1RAB9AEGFRTGM2ALDH1A1
SCHEMBL8549416 0.77 TGM2 (0.47) DPEP1TGM2

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-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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