SCHEMBL22085206

SCHEMBL22085206

CC(C)CC1NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)COCCOCCNC(=O)CCC(C(N)=O)NC(=O)C(CCCNC(=N)N)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.50
▸ RCOR1 Q9UKL0 3/20 0.50
▸ TFPI P10646 4/20 0.48
▸ NNMT P40261 2/20 0.47
▸ KRAS P01116 1/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ ITGB5 P18084 1/20 0.46
▸ CTSG P08311 2/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ PLAU P00749 2/20 0.43
▸ TSLP Q969D9 1/20 0.43
▸ PIN1 Q13526 1/20 0.42

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
SCHEMBL22085197 0.88 CACNA1B (0.54) KDM1ARCOR1TFPINNMTKRAS
SCHEMBL14028953 0.78 PSMB11 (0.54) TFPINNMTKRASCTSGKDM4A
Cyclorgdfv SCHEMBL19605549 0.78 ITGB3 (0.58) KRASITGB3ITGB1ITGAVITGA5
Cyclorgdfv SCHEMBL19605449 0.78 ITGB3 (0.58) KRASITGB3ITGB1ITGAVITGA5
Cyclorgdfv SCHEMBL29973120 0.78 ITGB3 (0.58) KRASITGB3ITGB1ITGAVITGA5
Cyclorgdfv SCHEMBL25474158 0.78 ITGB3 (0.58) KRASITGB3ITGB1ITGAVITGA5
SCHEMBL24713350 0.77 PIN1 (0.53) NNMTKRASITGB3ITGB1ITGAV
SCHEMBL25473422 0.77 KDM4A (0.55) NNMTKRASITGB3ITGB1ITGAV
SCHEMBL31479909 0.75 HSP90AB1 (0.45) KDM1ARCOR1KRASITGB3ITGB1
SCHEMBL22807690 0.74 ITGB3 (0.52) NNMTKRASITGB3ITGB1ITGAV

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-3907235-A1 NOVEL COMPOUND AND ANGIOGENIC AGENT COMPRISING SAME HiPep Laboratories (JP) 2021-11-10 — — EP disclosed
WO-2020116062-A1 NOVEL COMPOUND AND ANGIOGENIC AGENT COMPRISING SAME 株式会社ハイペップ研究所 2020-06-11 — — WO disclosed
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