SCHEMBL8744946

SCHEMBL8744946

[CH2]C(C)(C)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CTSD P07339 1/20 0.41
PTGS2 P35354 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL13258004 0.78 TSHR (0.48) TSHRTDP1HSD17B10ALDH1A1CTSD
SCHEMBL248960 0.78 TSHR (0.48) TSHRTDP1HSD17B10ALDH1A1CTSD
SCHEMBL50034 0.78 TSHR (0.48) TSHRTDP1HSD17B10ALDH1A1CTSD
SCHEMBL9058788 0.78 ALDH1A1 (0.45) TSHRTDP1HSD17B10ALDH1A1CTSD
Hydrochloric Acid SCHEMBL8602657 0.76 TSHR (0.46) TSHRTDP1HSD17B10ALDH1A1CTSD
SCHEMBL19185529 0.74 TSHR (0.43) TSHRTDP1HSD17B10ALDH1A1CTSD
SCHEMBL8372600 0.74 TSHR (0.43) TSHRTDP1HSD17B10ALDH1A1CTSD
SCHEMBL5699071 0.74 PDK1 (0.44) TSHRTDP1HSD17B10ALDH1A1CTSD
SCHEMBL902711 0.74 NPSR1 (0.44) TSHRTDP1HSD17B10ALDH1A1CTSD
SCHEMBL1341564 0.73 SGMS2 (0.44) TSHRTDP1HSD17B10ALDH1A1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628026-B1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AG (DE) 1997-01-22 EP disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 WO disclosed