SCHEMBL9666259

SCHEMBL9666259

Nc1ccc(C2(O)C=CC=CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CA3 P07451 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
CA6 P23280 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL8010161 0.82 ESR2 (0.38) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL28797384 0.82 HDAC3 (0.38) ALDH1A1CYP3A4HSD17B10
SCHEMBL27759669 0.81 DRD2 (0.39) LMNAMEN1KMT2A
SCHEMBL4089733 0.80 HDAC4 (0.36)
SCHEMBL9541009 0.77
SCHEMBL28645534 0.76 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL30149514 0.76 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAMEN1MAPT
Methane SCHEMBL28540585 0.74 ALDH1A1 (0.36) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL27579026 0.73 OPRM1 (0.33) ALDH1A1
SCHEMBL28832762 0.72 SLC6A4 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151458-A Molding materials for liquid crystal resins BAYER AKTIENGESELLSCHAFT (DE) 1992-09-29 US claimed
US-5143956-A Blends with low molecular weight liquid crystals BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 US claimed
US-5102935-A With low molecular weight, liquid crystalline esters and/or ester amides BAYER AKTIENGESELLSCHAFT (DE) 1992-04-07 US claimed
EP-0464351-A2 Polycarbonate, polyestercarbonate and polyester moulding compositions with high melt flow BAYER AG (DE) 1992-01-08 EP claimed
EP-0444295-A1 Low-viscosity polyamide mouldings BAYER AG (DE) 1991-09-04 EP claimed
EP-0444292-A2 Easy fluoring polyamide moulding compositions BAYER AG (DE) 1991-09-04 EP claimed
EP-0398052-A2 Low-viscosity polyarylene sulfide mouldings BAYER AG (DE) 1990-11-22 EP claimed
EP-0359037-A2 Low-viscosity polyamide mouldings and mixtures BAYER AG (DE) 1990-03-21 EP claimed
US-5151458-A Molding materials for liquid crystal resins BAYER AKTIENGESELLSCHAFT (DE) 1992-09-29 US disclosed
US-5143956-A Blends with low molecular weight liquid crystals BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 US disclosed
US-5102935-A With low molecular weight, liquid crystalline esters and/or ester amides BAYER AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
EP-0464351-A2 Polycarbonate, polyestercarbonate and polyester moulding compositions with high melt flow BAYER AG (DE) 1992-01-08 EP disclosed
US-5053518-A Hydroxy-substituted cyclic-1,6-diaza[4.4]spirodilactams SHELL OIL COMPANY (US) 1991-10-01 US disclosed
EP-0444295-A1 Low-viscosity polyamide mouldings BAYER AG (DE) 1991-09-04 EP disclosed
EP-0444292-A2 Easy fluoring polyamide moulding compositions BAYER AG (DE) 1991-09-04 EP disclosed
EP-0398052-A2 Low-viscosity polyarylene sulfide mouldings BAYER AG (DE) 1990-11-22 EP disclosed
US-4939251-A Novel spirolactones SHELL OIL COMPANY (US) 1990-07-03 US disclosed
EP-0359037-A2 Low-viscosity polyamide mouldings and mixtures BAYER AG (DE) 1990-03-21 EP disclosed