SCHEMBL7938786

SCHEMBL7938786

c1cc2c(cc1C1CCCCC1)Cc1cc(C3CCCCC3)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
PDK2 Q15119 1/20 0.46
ACMSD Q8TDX5 2/20 0.43
BACE1 P56817 1/20 0.42
KMO O15229 1/20 0.41
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP11B2 P19099 1/20 0.37
HTR1D P28221 1/20 0.36
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
HTT P42858 2/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL15757392 0.83 EPHX2 (0.40) EPHX2PDK2ACMSDBACE1KMT2A
SCHEMBL714541 0.81 EPHX2 (0.41) EPHX2PDK2ACMSDBACE1KMO
SCHEMBL16393610 0.80 ALDH1A1 (0.53) PDK2MAPTAKR1A1AKR1B1HTT
SCHEMBL27862643 0.79 EPHX2 (0.40) EPHX2PDK2ACMSDBACE1KMO
SCHEMBL9746450 0.79 EPHX2 (0.49) EPHX2PDK2ACMSDBACE1KMO
SCHEMBL10879536 0.79 EPHX2 (0.49) EPHX2PDK2ACMSDBACE1KMO
Hydrochloric Acid SCHEMBL27998359 0.78 EPHX2 (0.40) EPHX2PDK2ACMSDBACE1KMO
SCHEMBL3561526 0.76 EPHX2 (0.66) EPHX2
SCHEMBL714542 0.75 ACMSD (0.43) EPHX2PDK2ACMSDBACE1KMO
SCHEMBL24125875 0.74 EPHX2 (0.53) EPHX2ACMSDKMOKMT2ATDP1

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
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP claimed
EP-0666267-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-04-18 EP disclosed
CN-1060176-C Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-01-03 CN disclosed
US-5571880-A CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1996-11-05 US disclosed
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP disclosed