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Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28816504

CC(C)(C)OC=O.COP(=O)(CC(=O)C(CC1CCCNC1)NC(=O)OCc1ccccc1)OC

nearest known ligand 0.42

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.42
▸ CTSB P07858 4/20 0.42
▸ CTSK P43235 4/20 0.42
▸ CTSS P25774 2/20 0.42
▸ ITGB3 P05106 3/20 0.41
▸ ITGA2B P08514 3/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ KYNU Q16719 1/20 0.40
▸ CASP1 P29466 1/20 0.39

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
Tert-Butyl Formate SCHEMBL27835436 0.92 KYNU (0.43) CTSLCTSBCTSKCTSSITGB3
Tert-Butyl Formate SCHEMBL27998436 0.85 ITGB3 (0.50) CTSLCTSBCTSKITGB3ITGA2B
SCHEMBL3410144 0.84 KYNU (0.50) CTSLCTSBCTSKCTSSKYNU
SCHEMBL25889246 0.80 CTSK (0.53) CTSLCTSBCTSKCTSSITGB3
SCHEMBL3007735 0.80 CTSK (0.53) CTSLCTSBCTSKCTSSITGB3
SCHEMBL29542428 0.80 CTSK (0.53) CTSLCTSBCTSKCTSSITGB3
SCHEMBL3007739 0.80 CTSK (0.53) CTSLCTSBCTSKCTSSITGB3
SCHEMBL23295438 0.78 ITGB3 (0.53) CTSLCTSBCTSKCTSSITGB3
SCHEMBL23295439 0.78 ITGB3 (0.53) CTSLCTSBCTSKCTSSITGB3
SCHEMBL478463 0.77 ACKR3 (0.46) CTSLCTSBCTSKCTSSITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026996-B Pyridazine derivatives as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2015-01-07 — — CN disclosed