SCHEMBL8518246

SCHEMBL8518246

CCCCCOC(C=O)CC#N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
DNM1 Q05193 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX1 P07099 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8744190 0.82 TSHR (0.35) TSHRDNM1ZDHHC20ALDH1A1CNR1
SCHEMBL27797457 0.79 DNM1 (0.41) TSHRDNM1ALDH1A1CNR1CNR2
SCHEMBL16061313 0.77 DNM1 (0.44) TSHRDNM1EPHX1ADH1BADH1C
SCHEMBL8744213 0.76 TSHR (0.37) TSHRZDHHC20HPGD
SCHEMBL5634635 0.74 DNM1 (0.41) TSHRDNM1EPHX1ADH1BADH1C
SCHEMBL27816517 0.74 ALDH1A1 (0.45) DNM1ALDH1A1CNR1CNR2EPHX1
SCHEMBL31252977 0.73 DNM1 (0.44) TSHRDNM1LPAR1LPAR3HPGD
SCHEMBL11732153 0.73 DNM1 (0.40) TSHRDNM1EPHX1ADH1BADH1C
SCHEMBL11293584 0.73 LPAR1 (0.49) DNM1EPHX1ADH1BADH1CADH1A
SCHEMBL9854525 0.73 ALDH1A1 (0.40) TSHRDNM1ALDH1A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661310-B1 Cyclo-olefincopolymers and process for their preparation TICONA GMBH (DE) 1999-07-21 EP disclosed
EP-0661308-B1 Cyclo-olefin copolymers and process for their preparation TICONA GMBH (DE) 1999-06-02 EP disclosed
EP-0661310-A2 Cyclo-olefincopolymers and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed
EP-0661308-A2 Cyclo-olefin copolymers and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed