SCHEMBL8950657

SCHEMBL8950657

CC(C)Cc1ccc(C#N)[c]n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL7956130 0.79 CYP2A6 (0.33)
SCHEMBL7954011 0.76 KDM4E (0.38) KDM4EHSD17B10CTSSCTSK
SCHEMBL7956060 0.74 KCNH2 (0.38) TSHRMAPK1KDM4EALDH1A1HPGD
SCHEMBL4924804 0.72
SCHEMBL135947 0.69
SCHEMBL21535767 0.66 PANK3 (0.43) TSHRMAPK1KDM4EALDH1A1HPGD
SCHEMBL9098548 0.65
SCHEMBL7757978 0.65
SCHEMBL19304857 0.64 TDP1 (0.39) TSHRMAPK1KDM4EALDH1A1HPGD
SCHEMBL9262850 0.64 TSHR (0.56) TSHRMAPK1KDM4EALDH1A1HPGD

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
US-5554578-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5468717-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5334577-A 2-(substituted pyridy-oxymethyl)-phenylglyoxylate alkyloxime BASF AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed