Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27720203

CC(C)(C)OC=O.COC(=O)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
CREBBP Q92793 1/20 0.44
GPR84 Q9NQS5 2/20 0.43
FFAR1 O14842 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MIF P14174 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 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
SCHEMBL1327936 0.88 GPR84 (0.54) NR4A2CREBBPGPR84FFAR1KMT2A
SCHEMBL29800817 0.88 GPR84 (0.54) NR4A2CREBBPGPR84FFAR1KMT2A
SCHEMBL28224626 0.82 GPR84 (0.50) NR4A2CREBBPGPR84FFAR1KMT2A
SCHEMBL6987327 0.82 GPR84 (0.50) NR4A2CREBBPGPR84FFAR1KMT2A
SCHEMBL27576593 0.79 GPR84 (0.50) NR4A2CREBBPGPR84FFAR1KMT2A
SCHEMBL28877726 0.77 NR4A2 (0.50) NR4A2CREBBPGPR84FFAR1KMT2A
SCHEMBL18835781 0.76 GPR84 (0.42) NR4A2CREBBPGPR84FFAR1KMT2A
SCHEMBL27939077 0.76 GPR84 (0.53) NR4A2CREBBPGPR84FFAR1KMT2A
SCHEMBL5881120 0.76 NR4A2 (0.55) NR4A2CREBBPGPR84FFAR1KMT2A
Tert-Butyl Formate SCHEMBL27773431 0.76 ATM (0.65) NR4A2CREBBPGPR84KMT2AMEN1

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
CN-101495449-A 2-phenyl-indoles as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-07-29 CN disclosed
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN disclosed