SCHEMBL23965655

SCHEMBL23965655

CCc1c(C)cccc1C(=N)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 3/20 0.36
DHODH Q02127 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL23965600 0.88 HPGD (0.38) HPGDPOLBCYP3A4CYP2D6F2
SCHEMBL23965589 0.82 HPGD (0.38) HPGDCYP3A4F2F10PLG
SCHEMBL23965643 0.81 PLAU (0.40) HPGDCYP3A4F2F10PLG
SCHEMBL7870569 0.80 ALDH1A1 (0.48) POLBGAATSHRALDH1A1HSD17B10
SCHEMBL23965645 0.80 CYP3A4 (0.42) HPGDCYP3A4CYP2D6GAATSHR
SCHEMBL4739763 0.79 ALDH1A1 (0.47) POLBGAATSHRALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL28090259 0.79 ALDH1A1 (0.47) POLBGAATSHRALDH1A1HSD17B10
SCHEMBL12164009 0.76 HPGD (0.46) HPGDPOLBTSHRALDH1A1KDM4E
SCHEMBL697398 0.74 BRPF1 (0.43) HPGDPOLBCYP3A4GAATSHR
SCHEMBL1549077 0.74 ALDH1A1 (0.57) HPGDPOLBCYP3A4TSHRALDH1A1

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-3903582-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II BASF SE (DE) 2021-11-03 EP disclosed
EP-3903584-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS IV BASF SE (DE) 2021-11-03 EP disclosed
EP-3903581-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS I BASF SE (DE) 2021-11-03 EP disclosed
EP-3903583-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS III BASF SE (DE) 2021-11-03 EP disclosed