SCHEMBL28010974

SCHEMBL28010974

C=CCn1cc(C(=O)O)c2cc(O)ccc21.Cc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.43
CNR1 P21554 5/20 0.42
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PLA2G2A P14555 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL28010290 0.90 KMT2A (0.51) CNR2KMT2AGAAHPGDLMNA
SCHEMBL23704991 0.76 KMT2A (0.49) CNR2CNR1KMT2AGFERHPGD
SCHEMBL3721317 0.75 KMT2A (0.54) KMT2AGFERLMNASMN1; SMN2ALDH1A1
SCHEMBL6002325 0.73 CNR2 (0.42) CNR2CNR1HPGDALDH1A1PLA2G2A
SCHEMBL2003091 0.73 PLA2G2A (0.64) CNR2CNR1KMT2AGAALMNA
SCHEMBL17023484 0.71 KMT2A (0.49) CNR2CNR1KMT2AGFERLMNA
SCHEMBL31693495 0.70 MCL1 (0.54) CNR2CNR1KMT2ALMNAPLA2G2A
Allyl Alcohol SCHEMBL28791169 0.70 TSHR (0.47) KMT2AHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL27676328 0.70 TSHR (0.47) KMT2AHPGDLMNASMN1; SMN2ALDH1A1
Resorcinol SCHEMBL27536554 0.69 ALDH1A1 (0.53) KMT2AHPGDLMNASMN1; SMN2ALDH1A1

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
CN-104521972-A Pesticide composition for preventing and treating brevicoryne brassicae and containing indole carboxylate JIANGYIN SULI CHEMICAL CO LTD 2015-04-22 CN claimed
CN-104521972-A Pesticide composition for preventing and treating brevicoryne brassicae and containing indole carboxylate JIANGYIN SULI CHEMICAL CO LTD 2015-04-22 CN disclosed