SCHEMBL29940608

SCHEMBL29940608

COC(=O)[C@@]1(O)Cc2cc(Cl)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
SRD5A1 P18405 2/20 0.38
SRD5A2 P31213 1/20 0.38
SLC6A3 Q01959 1/20 0.36
METAP1 P53582 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABL1 P00519 1/20 0.36
CXCL12 P48061 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
BACE1 P56817 1/20 0.34
PPOX P50336 1/20 0.34
AHR P35869 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
SCHEMBL1874449 1.00 SMN1; SMN2 (0.42) SMN1; SMN2SRD5A1SRD5A2SLC6A3METAP1
SCHEMBL1875543 1.00 SMN1; SMN2 (0.42) SMN1; SMN2SRD5A1SRD5A2SLC6A3METAP1
SCHEMBL29476749 1.00 SMN1; SMN2 (0.42) SMN1; SMN2SRD5A1SRD5A2SLC6A3METAP1
SCHEMBL29476750 1.00 SMN1; SMN2 (0.42) SMN1; SMN2SRD5A1SRD5A2SLC6A3METAP1
SCHEMBL30293721 1.00 SMN1; SMN2 (0.42) SMN1; SMN2SRD5A1SRD5A2SLC6A3METAP1
SCHEMBL28596778 0.90 SMN1; SMN2 (0.38) SMN1; SMN2METAP1MEN1KMT2ACYP2C9
SCHEMBL28600522 0.85 CA1 (0.42) SMN1; SMN2METAP1CYP2C9CYP2C19ALDH1A1
SCHEMBL9141221 0.84 SMN1; SMN2 (0.53) SMN1; SMN2SRD5A1SRD5A2SLC6A3METAP1
SCHEMBL12083423 0.84 CA1 (0.41) SMN1; SMN2SRD5A1KMT2AALDH1A1ALPL
SCHEMBL28910708 0.84 SMN1; SMN2 (0.60) SMN1; SMN2METAP1MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115807042-A Preparation method of indoxacarb intermediate 弈柯莱生物科技(上海)股份有限公司 2023-03-17 CN claimed
CN-115807042-A Preparation method of indoxacarb intermediate 弈柯莱生物科技(上海)股份有限公司 2023-03-17 CN disclosed
CN-111579658-B Content analysis method of indoxacarb chiral intermediate 京博农化科技有限公司 2022-09-27 CN disclosed