SCHEMBL8313320

SCHEMBL8313320

Cc1c(NC(=O)OC(C)(C)C)ccc2c1OC(CO[Si](C)(C)C(C)(C)C)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
ATM Q13315 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
BRD9 Q9H8M2 1/20 0.33
ELANE P08246 1/20 0.33
CTRB1 P17538 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RORC P51449 1/20 0.31
DRD2 P14416 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 2/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL6083239 1.00 POLB (0.34) POLBATMAAK1BRD9ELANE
SCHEMBL6081924 1.00 POLB (0.34) POLBATMAAK1BRD9ELANE
SCHEMBL6081853 0.85 AAK1 (0.30) AAK1
SCHEMBL6081991 0.85 AAK1 (0.30) AAK1
SCHEMBL8317430 0.77 CYP4F2 (0.44) ALDH1A1NFKB1NFKB2RELACYP1A2
SCHEMBL8318115 0.73 ELANE (0.32) BRD9ELANECTRB1LMNANPSR1
SCHEMBL6083248 0.73 ELANE (0.32) BRD9ELANECTRB1LMNANPSR1
SCHEMBL6081926 0.73 ELANE (0.32) BRD9ELANECTRB1LMNANPSR1
SCHEMBL8313324 0.72 ELANE (0.33) AAK1ELANECTRB1
SCHEMBL6082596 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 EP disclosed
US-5750556-A REDUCING DOPAMINE SYNTHESIS AND RELEASE, SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed
EP-0771801-A1 Chromane derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed