SCHEMBL7728453

SCHEMBL7728453

CCOC(=O)[C@@H]1C[C@H](Br)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.39
NR1H2 P55055 2/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL7728457 1.00 FKBP1A (0.39) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL9636968 1.00 FKBP1A (0.39) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL24113423 0.86 NR1H2 (0.40) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29063175 0.86 NR1H2 (0.40) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29063178 0.86 NR1H2 (0.40) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL9635522 0.86 POLB (0.50) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL9731413 0.86 FKBP1A (0.39) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL8256266 0.86 CYP1A2 (0.40) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL117368 0.86 CYP1A2 (0.40) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL16104864 0.86 CYP1A2 (0.40) FKBP1ANR1H2CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 WO disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
EP-0493506-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1992-07-08 EP disclosed
US-5120859-A Anticoagulants GENENTECH, INC. (US) 1992-06-09 US disclosed
WO-1991004247-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1991-04-04 WO disclosed