SCHEMBL8554406

SCHEMBL8554406

C=CC(=O)NCC/C(=C\c1ccc(OCC)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ EGFR P00533 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL8546509 0.88 TGM2 (0.47) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL8548995 0.84 ALOX5 (0.42) ACACBMAPTLMNAALOX5NPC1
SCHEMBL8547481 0.83 TGM2 (0.43) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL8555056 0.81 THRB (0.43) ALOX5NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8551807 0.81 TGM2 (0.43) MAPTLMNAALDH1A1HTTKMT2A
SCHEMBL8550291 0.80 ALDH1A1 (0.39) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL8549416 0.78 TGM2 (0.47) LMNASMN1; SMN2
SCHEMBL8550135 0.77 ALDH1A1 (0.47) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL8551267 0.77 ZDHHC20 (0.42) LMNAALOX5EGFR
SCHEMBL8553499 0.77 TGM2 (0.48) MAPTLMNAALDH1A1KDM4EHTT

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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