SCHEMBL24642914

SCHEMBL24642914

CSc1ncc(C#CCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 4/20 0.42
▸ ITGA4 P13612 4/20 0.42
▸ FAAH O00519 2/20 0.41
▸ IL2 P60568 1/20 0.40
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ CTSB P07858 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ ACE P12821 2/20 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
SCHEMBL26108180 1.00 ITGB1 (0.42) ITGB1ITGA4FAAHIL2ITGB3
SCHEMBL31538100 0.90 CCKAR (0.38) ITGB1ITGA4FAAHITGB3ITGA2B
SCHEMBL24642383 0.80 CTSL (0.39) CTSB
SCHEMBL26108152 0.80 EPHX2 (0.47) FAAHEPHX2HDAC3HDAC4HDAC1
SCHEMBL25045552 0.79 CTSL (0.39) CTSB
SCHEMBL24642506 0.78 OPRD1 (0.38) FAAHCTSB
SCHEMBL31217951 0.78 IL2 (0.38) ITGB1ITGA4FAAHIL2ITGB3
SCHEMBL26108179 0.77 MMP2 (0.34) ITGB1ITGA4
SCHEMBL26513732 0.76 ACACB (0.37) ITGB1ITGA4CTSB
SCHEMBL26109627 0.75 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-4748843-A2 ANTIBODY-DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2026-05-27 — — EP disclosed
EP-4556026-A1 ANTIBODY-DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2025-05-21 — — EP disclosed
EP-4552654-A1 ANTIBODY-DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2025-05-14 — — EP disclosed
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
WO-2022170971-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州宜联生物医药有限公司 2022-08-18 — — WO disclosed
Send feedback