SCHEMBL8529959

SCHEMBL8529959

[c]1ccc(C2CCC3OC3C2)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 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
SCHEMBL1264103 0.82 AKR1C3 (0.48) AKR1C3AKR1C1
SCHEMBL11789570 0.78 HTR3A (0.43)
SCHEMBL22929 0.75
SCHEMBL6578876 0.75 POLB (0.46)
SCHEMBL6574631 0.74 ESR2 (0.39) AKR1C3AKR1C1
SCHEMBL11788523 0.70 SLC18A3 (0.52) AKR1C3AKR1C1
SCHEMBL43455 0.69 ESR2 (0.47)
SCHEMBL21538 0.69 ESR2 (0.42)
SCHEMBL2383142 0.68 KCNH2 (0.37)
SCHEMBL3414151 0.68

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
CN-1283647-A Polyorganosiloxane simultaneously contg sulfoacid group and alkyl group with mercapto MITSUI CHEMICAL IND CO LTD (JP) 2001-02-14 CN disclosed
EP-0693470-B1 Process for preparing bisphenol A and polysiloxane catalyst therefor MITSUI TOATSU CHEMICALS (JP) 1998-05-20 EP disclosed
EP-0691321-B1 Process for catalytic hydration of olefins MITSUI TOATSU CHEMICALS (JP) 1998-03-11 EP disclosed
US-5631338-A POLYSILOXANE, ACID CATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-20 US disclosed
US-5608123-A FORMING ALCOHOLS OR ETHERS FROM OLEFINS IN THE PRESENCE OF POLYORGANOSILOXANES CONTAMINATING SULFONIC ACIDS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-03-04 US disclosed
EP-0693470-A1 Process for preparing bisphenol A and polysiloxane catalyst therefor MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-01-24 EP disclosed
EP-0691321-A2 Process for catalytic hydration of olefins MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-01-10 EP disclosed