SCHEMBL9686797

SCHEMBL9686797

Cc1cc(C(C)(C)C)c(OP(Oc2ccccc2)Oc2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TNFRSF1A P19438 1/20 0.32
HSPA5 P11021 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTT P42858 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
SCHEMBL10815029 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17807568 0.87 CYP3A4 (0.37) POLBTSHRTDP1CYP3A4TNFRSF1A
SCHEMBL1159937 0.86 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10816395 0.84 NPC1 (0.32) SMN1; SMN2POLBCYP2C9HTT
SCHEMBL17807554 0.84 CA2 (0.38) ALDH1A1CA2TSHRTDP1GABRA1
SCHEMBL29000706 0.83 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11061944 0.82 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL6166148 0.81 MEN1 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1160297 0.81 MEN1 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11300513 0.79 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR

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
EP-0155508-B1 TRANSITION METAL COMPLEX CATALYZED REACTIONS UNION CARBIDE CORPORATION (US) 1992-12-09 EP disclosed
US-4789753-A FORMYLATION CATALYST COMPLEX UNION CARBIDE CORPORATION (US) 1988-12-06 US disclosed
US-4737588-A CONTAINING DIORGANOPHOSPHITE-HYDROFORMYLATION CATALYST UNION CARBIDE CORPORATION (US) 1988-04-12 US disclosed
US-4717775-A RHODIUM-DIORGANOPHOSPHITE COMPLEX CATALYZED HYDROFORMYLATION REACTIONS UNION CARBIDE CORPORATION (US) 1988-01-05 US disclosed
US-4599206-A Transition metal complex catalyzed reactions UNION CARBIDE CORPORATION (US) 1986-07-08 US disclosed
EP-0155508-A1 Transition metal complex catalyzed reactions UNION CARBIDE CORPORATION (US) 1985-09-25 EP disclosed
WO-1985003702-A1 TRANSITION METAL COMPLEX CATALYZED REACTIONS UNION CARBIDE CORPORATION (US) 1985-08-29 WO disclosed