SCHEMBL13739548

SCHEMBL13739548

O=C(O)c1ccc(-c2ccc(C#CC3CC3CO)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.39
▸ RARG P13631 2/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ BAD Q92934 1/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ SRD5A2 P31213 2/20 0.36
▸ CYP26A1 O43174 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ CRABP2 P29373 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ RXRA P19793 3/20 0.36
▸ RXRB P28702 3/20 0.36
▸ NR3C2 P08235 1/20 0.35
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL13831071 0.96 RARB (0.41) RARBRARGPTPN11SRD5A2CYP26A1
SCHEMBL13738163 0.86 RARB (0.39) RARBRARGPTPN11SRD5A2CYP26A1
SCHEMBL13831258 0.86 RARB (0.39) RARBRARGPTPN11SRD5A2CYP26A1
SCHEMBL13737615 0.86 RARB (0.39) RARBRARGPTPN11SRD5A2CYP26A1
SCHEMBL31303687 0.86 RARB (0.39) RARBRARGPTPN11SRD5A2CYP26A1
SCHEMBL17451854 0.86 RARB (0.39) RARBRARGPTPN11SRD5A2CYP26A1
SCHEMBL31303689 0.86 RARB (0.39) RARBRARGPTPN11SRD5A2CYP26A1
SCHEMBL13738717 0.86 RARB (0.39) RARBRARGPTPN11SRD5A2CYP26A1
SCHEMBL13741117 0.84 PTPN11 (0.42) PTPN11EGFR
SCHEMBL17435680 0.82 RARB (0.43) RARBRARGCYP26A1CYP3A4RARA

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
EP-2638006-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Achaogen, Inc. (US) 2013-09-18 — — EP disclosed
WO-2012154204-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS ACHAOGEN, INC. (US) 2012-11-15 — — WO disclosed
Send feedback