SCHEMBL30410751

SCHEMBL30410751

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCCCC(=O)NCCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ EPHX2 P34913 4/20 0.48
▸ GLP1R P43220 8/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ADRA1A P35348 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL15259316 0.93 TSHR (0.49) TSHREPHX2GLP1RALDH1A1ADRA1A
SCHEMBL16241868 0.93 TSHR (0.50) TSHRGLP1RALDH1A1ADRA1AKDM4E
SCHEMBL13165265 0.90 TSHR (0.49) TSHREPHX2GLP1RALDH1A1KDM4E
SCHEMBL13640790 0.90 TSHR (0.49) TSHREPHX2GLP1RALDH1A1KDM4E
SCHEMBL13641016 0.90 TSHR (0.49) TSHREPHX2GLP1RALDH1A1KDM4E
SCHEMBL18923938 0.90 TSHR (0.56) TSHREPHX2GLP1RALDH1A1ADRA1A
SCHEMBL18923980 0.90 TSHR (0.56) TSHREPHX2GLP1RALDH1A1ADRA1A
SCHEMBL12666089 0.88 TSHR (0.62) TSHREPHX2ALDH1A1ADRA1AKDM4E
SCHEMBL12666182 0.88 TSHR (0.62) TSHREPHX2ALDH1A1ADRA1AKDM4E
SCHEMBL26297954 0.88 ALDH1A1 (0.53) TSHREPHX2ALDH1A1ADRA1AKDM4E

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-4426729-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE Hangzhou Dac Biotech Co., Ltd. (CN) 2024-09-11 — — EP disclosed
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 — — WO disclosed
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