SCHEMBL22299966

SCHEMBL22299966

CC(=O)Cc1ccc(CNC(=O)NCCCC[C@H](C)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ HDAC3 O15379 4/20 0.43
▸ HDAC4 P56524 4/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC7 Q8WUI4 4/20 0.43
▸ HDAC2 Q92769 4/20 0.43
▸ HDAC10 Q969S8 4/20 0.43
▸ HDAC11 Q96DB2 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ HDAC9 Q9UKV0 4/20 0.43
▸ HDAC5 Q9UQL6 4/20 0.43
▸ CASR P41180 1/20 0.43
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ TSHR P16473 1/20 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
SCHEMBL22299972 0.84 ALB (0.54) EPHX2SMN1; SMN2FOLH1ALDH1A1CA1
SCHEMBL18308654 0.82 FOLH1 (0.51) FOLH1ALDH1A1LMNA
SCHEMBL23974245 0.80 HDAC1 (0.38) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL18307317 0.73 FOLH1 (0.52) FOLH1ALDH1A1LMNA
SCHEMBL17190075 0.71 FOLH1 (0.60) FOLH1
SCHEMBL23720442 0.71 FOLH1 (0.57) FOLH1
SCHEMBL15739460 0.71 FOLH1 (0.69) FOLH1
SCHEMBL22135050 0.71 EPHX2 (0.67) EPHX2CASRKEAP1NFE2L2EPHX1
SCHEMBL18588225 0.70 KDM4E (0.58) SMN1; SMN2MAPK1TSHRFOLH1
SCHEMBL14930734 0.70 KDM4E (0.58) SMN1; SMN2MAPK1TSHRFOLH1

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-3903825-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF Coherent Biopharma (Suzhou), Limited (CN) 2021-11-03 — — EP disclosed
WO-2020156513-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF 同宜医药(苏州)有限公司 2020-08-06 — — WO disclosed
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