SCHEMBL8140372

SCHEMBL8140372

CCN(C=C(C(=O)c1ccc(Cl)cc1N(C)C(C)=O)C(=O)C1CC1)CC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.40
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
TSHR P16473 2/20 0.31
KDM4E B2RXH2 3/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL8140369 1.00 FSCN1 (0.40) FSCN1ALDH1A1CYP3A4MAPTHSD17B1
SCHEMBL7553065 0.89 FSCN1 (0.44) FSCN1ALDH1A1MAPTHSD17B1HSD17B2
SCHEMBL7553061 0.89 FSCN1 (0.44) FSCN1ALDH1A1MAPTHSD17B1HSD17B2
SCHEMBL7553102 0.77 TSHR (0.41) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL7553100 0.77 TSHR (0.41) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL7556546 0.73 TSHR (0.40) ALDH1A1MAPTTSHRPOLBLMNA
SCHEMBL7556542 0.73 TSHR (0.40) ALDH1A1MAPTTSHRPOLBLMNA
SCHEMBL7641651 0.73 FSCN1 (0.43) FSCN1ALDH1A1CYP3A4MAPTPOLB
SCHEMBL8813196 0.72 CYP11B1 (0.40) ALDH1A1MAPTPOLBLMNACYP11B1
SCHEMBL7557997 0.71 TSHR (0.39) MAPTTSHRPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed