SCHEMBL9302819

SCHEMBL9302819

Cc1ccc(P(c2ccc(C)cc2)C(C)P(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 5/20 0.35
CA7 P43166 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.35
CHRNA7 P36544 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 3/20 0.32
PKM P14618 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
NLRP1 Q9C000 1/20 0.32
MEN1 O00255 1/20 0.32
NTSR1 P30989 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
SCHEMBL7790577 0.83 ACHE (0.44) ACHETDP1ALDH1A1CA7CA1
SCHEMBL12584882 0.83 ACHE (0.44) ACHETDP1ALDH1A1CA7CA1
SCHEMBL25201319 0.83 ACHE (0.44) ACHETDP1ALDH1A1CA7CA1
SCHEMBL4378627 0.79 ACHE (0.40) ACHETDP1ALDH1A1CA7CA1
SCHEMBL16447448 0.77 ACHE (0.38) ACHETDP1ALDH1A1CA7CA1
SCHEMBL4379629 0.77 ACHE (0.38) ACHETDP1ALDH1A1CA7CA1
SCHEMBL7613197 0.76 CYP2A6 (0.42) TDP1ALDH1A1MAOA
SCHEMBL24363123 0.76 ACHE (0.42) ACHETDP1ALDH1A1CA7CA1
SCHEMBL4380162 0.75 ACHE (0.36) ACHETDP1MAPT
SCHEMBL104024 0.74 TDP1 (0.45) ACHETDP1MAOALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290743-A Process for regenerating a deactivated rhodium hydroformylation catalyst system ARCO CHEMICAL TECHNOLOGY L.P. (US) 1994-03-01 US claimed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-5364607-A Borides and boride precursors deposited from solution E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-15 US disclosed
US-5290743-A Process for regenerating a deactivated rhodium hydroformylation catalyst system ARCO CHEMICAL TECHNOLOGY L.P. (US) 1994-03-01 US disclosed
EP-0442894-A1 BORIDES AND BORIDE PRECURSORS DEPOSITED FROM SOLUTION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-28 EP disclosed
WO-1991003420-A1 BORIDES AND BORIDE PRECURSORS DEPOSITED FROM SOLUTION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 WO disclosed
US-4594463-A HYDROFORMYULATION UNION CARBIDE CORPORATION (US) 1986-06-10 US disclosed