SCHEMBL6640437

SCHEMBL6640437

COc1ccc(CC(Nc2nc3ccc(NC(=O)OC(C)(C)C)c(C)c3c(=O)o2)C(=O)NCc2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.55
ELANE P08246 3/20 0.55
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 4/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.37
SCN9A Q15858 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6638186 0.86 CTRB1 (0.62) CTRB1ELANEKMT2AMEN1HPGD
SCHEMBL7838428 0.85 ELANE (0.61) CTRB1ELANE
SCHEMBL6498011 0.85 ELANE (0.63) CTRB1ELANE
SCHEMBL7842064 0.85 CTRB1 (0.45) CTRB1ELANEKMT2AALDH1A1
SCHEMBL6507279 0.84 ELANE (0.39) CTRB1ELANEKMT2AMEN1SMN1; SMN2
SCHEMBL6498606 0.81 ELANE (0.59) CTRB1ELANEKMT2AMEN1HPGD
SCHEMBL6637727 0.80 ELANE (0.57) CTRB1ELANEKMT2AMEN1ALDH1A1
SCHEMBL6637731 0.80 ELANE (0.57) CTRB1ELANEKMT2AMEN1ALDH1A1
SCHEMBL7837321 0.80 ELANE (0.70) CTRB1ELANEHPGDALDH1A1PKM
SCHEMBL6496223 0.80 ELANE (0.72) CTRB1ELANEHPGDALDH1A1PKM

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
US-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP disclosed