SCHEMBL29559352

SCHEMBL29559352

COC(=O)c1ccc(C(C)C)c(NC(=O)CCl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 11/20 0.48
KDM4E B2RXH2 7/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DNMT1 P26358 1/20 0.43

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
SCHEMBL22897675 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29559964 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL22897541 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL22833162 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22897694 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4ENPC1MITF
SCHEMBL31520538 0.80 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL29559529 0.80 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL22897728 0.80 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL22897575 0.80 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL29559776 0.80 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA

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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed