SCHEMBL23463264

SCHEMBL23463264

CC(=O)CCC(C(C)=O)N(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRM1 P11229 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 0.31

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
SCHEMBL27009265 0.86 GABRP (0.43) CHRNB2CHRNA4CHRNB4LMNASLC15A2
SCHEMBL23463503 0.84 ALDH1A1 (0.33) ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL20104586 0.84 ALOX15 (0.36) CHRNB2CHRNA4CHRNB4
SCHEMBL19546492 0.80 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNA4CHRNB4CHRM1
SCHEMBL23463665 0.78 CHRNB2 (0.41) ALDH1A1CHRNB2CHRNA4CHRNB4CHRM1
SCHEMBL27009136 0.76 ALOX15 (0.32)
SCHEMBL13267367 0.76 USP2 (0.30)
SCHEMBL23463333 0.75 ALDH1A1 (0.36) ALDH1A1CHRM1TDP1LMNASLC15A2
SCHEMBL15457551 0.74 KDM4E (0.30)
SCHEMBL22446850 0.73 CHRNB2 (0.54) ALDH1A1CHRNB2CHRNA4CHRNB4TDP1

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
EP-3919080-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF Chongqing Upgra Biotechnology Co., Ltd. (CN) 2021-12-08 EP disclosed
WO-2021103342-A1 POLYETHYLENE GLYCOL CONJUGATED DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed