SCHEMBL29467710

SCHEMBL29467710

COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CAPN1 P07384 1/20 0.44
▸ CAPN2 P17655 1/20 0.44
▸ CTSL P07711 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CYP3A4 P08684 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ CTSB P07858 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CTSK P43235 2/20 0.40

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
SCHEMBL30407627 0.93 SMN1; SMN2 (0.46) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL29467632 0.90 CAPN1 (0.45) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL29467703 0.87 HTT (0.57) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL29467638 0.86 SMN1; SMN2 (0.47) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL29548496 0.86 SMN1; SMN2 (0.47) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL30407736 0.80 HTT (0.57) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL30407162 0.79 SMN1; SMN2 (0.47) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL29467617 0.79 LMNA (0.47) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL29467716 0.76 HTT (0.53) SMN1; SMN2LMNACAPN1CAPN2CTSL
SCHEMBL27438957 0.76 LMNA (0.47) SMN1; SMN2LMNACYP3A4ALDH1A1CYP2D6

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
EP-4426727-A2 SPECIFIC CONJUGATION OF AN ANTIBODY Hangzhou Dac Biotech Co., Ltd. (CN) 2024-09-11 — — EP disclosed
WO-2022078524-A4 SPECIFIC CONJUGATION OF AN ANTIBODY HANGZHOU DAC BIOTECH CO., LTD. (CN) 2022-12-08 — — WO disclosed
WO-2022078524-A2 SPECIFIC CONJUGATION OF AN ANTIBODY HANGZHOU DAC BIOTECH CO., LTD. (CN) 2022-04-21 — — WO disclosed
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