SCHEMBL21935453

SCHEMBL21935453

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cc5F)cc4F)c4nsnc34)c(F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.38
▸ PDE3A Q14432 7/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ FEN1 P39748 3/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ CTSA P10619 1/20 0.35
▸ AKR1C3 P42330 3/20 0.35
▸ AKR1C2 P52895 3/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1C4 P17516 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33

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
SCHEMBL18464325 0.93 DHODH (0.46) PDE3BPDE3ADHODHFEN1ALOX5AP
SCHEMBL20647415 0.90 PDE3B (0.39) PDE3BPDE3ADHODHCTSAKDM1A
SCHEMBL21537510 0.89 PDE3B (0.38) PDE3BPDE3ADHODHFEN1ALOX5AP
SCHEMBL18464129 0.86 CYP2A6 (0.38) PDE3BPDE3ADHODHAKR1C3AKR1C2
SCHEMBL18464327 0.83 ESR1 (0.39) PDE3BPDE3ADHODHGRM2RPS6KA3
SCHEMBL18464312 0.83 DHODH (0.42) PDE3BPDE3ADHODHFEN1ALOX5AP
SCHEMBL18464324 0.83 DHODH (0.44) PDE3BPDE3ADHODHGRM2
SCHEMBL21537531 0.80 PDE3B (0.34) PDE3BPDE3ADHODH
SCHEMBL803426 0.79 PDE3B (0.48) PDE3BPDE3ADHODHFEN1ALOX5AP
SCHEMBL20806070 0.78 ESR1 (0.37) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
WO-2020158038-A1 LIQUID CRYSTAL COMPOSITE AND LIQUID CRYSTAL DIMMER ELEMENT JNC株式会社 2020-08-06 — — WO disclosed
WO-2020158211-A1 LIQUID CRYSTAL COMPOSITE BODY, LIQUID CRYSTAL LIGHT CONTROL ELEMENT AND LIGHT CONTROL WINDOW JNC株式会社 2020-08-06 — — WO disclosed
EP-3458549-B1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-07-22 — — EP disclosed
EP-3400270-B1 DEVICE FOR REGULATING ENTRY OF LIGHT MERCK PATENT GMBH (DE) 2020-04-29 — — EP disclosed
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