SCHEMBL9315411

SCHEMBL9315411

NOCC#CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.48
AGXT P21549 4/20 0.46
SRR Q9GZT4 2/20 0.41
DHFR P00374 1/20 0.39
KCNH2 Q12809 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
CALM1 P0DP23 1/20 0.35
CYP2A6 P11509 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL6688790 0.82 TSHR (0.44) IDO1SRRKCNH2FFAR1FFAR4
SCHEMBL3888886 0.81 CALM1 (0.50) IDO1KCNH2LOXL2FFAR1FFAR4
SCHEMBL3218842 0.78 KCNH2 (0.42) SRRDHFRKCNH2FFAR1FFAR4
SCHEMBL7496556 0.76 IDO1 (0.44) IDO1AGXTSRRDHFRKCNH2
SCHEMBL6200514 0.76 CYP1A2 (0.58) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8826116 0.75 CYP1A2 (0.56) IDO1DHFRKCNH2LOXL2FFAR1
Hydrochloric Acid SCHEMBL7225541 0.74 BLM (0.59) IDO1AGXTCYP1A2CYP3A4CYP2C9
SCHEMBL14775223 0.74 FFAR1 (0.44) SRRFFAR1FFAR4SMN1; SMN2
SCHEMBL5623885 0.74 FFAR1 (0.44) SRRFFAR1FFAR4TSHRSMN1; SMN2
Bromide SCHEMBL16795546 0.73 CYP1A2 (0.54) IDO1DHFRKCNH2LOXL2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374609-A Cyclohexenone oxime ethers and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed
US-5250505-A Particularly effective against grasses; low application rate; high selectivity; nonphytotoxic when used for broad-leaf crops and rice BASF AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed