SCHEMBL10891449

SCHEMBL10891449

CC(NC(=O)CCCCCCCCC#CC#CCO)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 6/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ HTR1A P08908 2/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ HTR7 P34969 2/20 0.48
▸ HTR6 P50406 2/20 0.48
▸ ASAH1 Q13510 1/20 0.47
▸ ACER2 Q5QJU3 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GPR139 Q6DWJ6 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CERT1 Q9Y5P4 3/20 0.44

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
SCHEMBL10898940 0.95 MAPT (0.57) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL6872320 0.95 MAPT (0.57) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL10978959 0.90 MAPT (0.52) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL11042236 0.90 ASAH1 (0.60) MAPTALDH1A1HPGDGAAASAH1
SCHEMBL10893587 0.85 MAPT (0.55) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL4139305 0.78 ALDH1A1 (0.72) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL9472620 0.78 ALDH1A1 (0.72) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL4139311 0.78 ALDH1A1 (0.72) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL5599045 0.78 ALDH1A1 (0.72) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL4183115 0.78 ALDH1A1 (0.72) MAPTALDH1A1HPGDGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021695-B1 NOVEL NONLINEAR OPTICAL MATERIALS AND PROCESSES EMPLOYING DIACETYLENES UNIVERSITY PATENTS, INC. (US) 1986-11-12 — — EP disclosed
EP-0081477-B1 OPTICAL WAVEGUIDES EMPLOYING DIACETYLENES UNIVERSITY PATENTS, INC. (US) 1986-09-17 — — EP disclosed
US-4536450-A Nonlinear optical materials and processes employing diacetylenes UNIVERSITY PATENTS, INC. (US) 1985-08-20 — — US disclosed
US-4431263-A Novel nonlinear optical materials and processes employing diacetylenes UNIVERSITY PATENTS, INC. (US) 1984-02-14 — — US disclosed
EP-0081477-A2 Optical waveguides employing diacetylenes UNIVERSITY PATENTS, INC. (US) 1983-06-15 — — EP disclosed
EP-0021695-A2 Novel nonlinear optical materials and processes employing diacetylenes UNIVERSITY PATENTS, INC. (US) 1981-01-07 — — EP disclosed
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