SCHEMBL28375968

SCHEMBL28375968

COCc1cc(OC)c(C=O)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PRKDC P78527 1/20 0.51
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ERN1 O75460 5/20 0.42
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TUBB1 Q9H4B7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 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
SCHEMBL31732361 0.93 PRKDC (0.56) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL27187284 0.84 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL31456012 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL13978005 0.81 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29902518 0.80 TRIM24 (0.45) ALDH1A1TDP1PRKDCLMNAMAPT
SCHEMBL28370226 0.80 TRIM24 (0.45) ALDH1A1TDP1PRKDCLMNAMAPT
SCHEMBL10049625 0.80 HTR2A (0.48) PRKDCSMN1; SMN2L3MBTL1
SCHEMBL31456177 0.80 PRKDC (0.47) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL31456113 0.78 PRKDC (0.46) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1539323 0.78 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110937986-B Compound synthesis method and application in field of insulin resistance improving medicines 深圳市灵兰生物医药科技有限公司 2022-09-06 CN claimed
CN-110937987-B Synthetic route of compound and application of compound in field of preparation of antidiabetic drugs 深圳市灵兰生物医药科技有限公司 2022-09-06 CN disclosed
CN-110937986-B Compound synthesis method and application in field of insulin resistance improving medicines 深圳市灵兰生物医药科技有限公司 2022-09-06 CN disclosed
CN-110937987-A Synthetic route of compound and application of compound in field of preparation of antidiabetic drugs 深圳市灵兰生物医药科技有限公司 2020-03-31 CN disclosed
CN-110937986-A Compound synthesis method and application in field of insulin resistance improving medicines 深圳市灵兰生物医药科技有限公司 2020-03-31 CN disclosed