SCHEMBL7780835

SCHEMBL7780835

COc1cc(C(=O)O)ccc1NC(=O)c1ccccc1OCCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
PYGL P06737 3/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
MAPK8 P45983 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL7348695 0.93 PYGL (0.46) LMNARAB9APYGLRXFP1KMT2A
SCHEMBL7345964 0.84 LMNA (0.49) LMNARAB9APYGLPPARGPPARA
SCHEMBL7345228 0.78 AVPR2 (0.39) RXFP1TP53GAA
SCHEMBL7338831 0.76 PYGL (0.47) LMNAPYGLKMT2AMEN1GAA
SCHEMBL7778277 0.74 BRD4 (0.52) KMT2AMEN1GAA
SCHEMBL22871355 0.74 RAB9A (0.60) LMNARAB9APYGLPPARGPPARA
SCHEMBL15076180 0.74 RBP4 (0.54) LMNARAB9AKMT2AKDM4EHPGD
SCHEMBL7344390 0.73 RXFP1 (0.42) RAB9ARXFP1KMT2AMEN1TP53
SCHEMBL7342516 0.73 ALDH1A1 (0.41) RAB9AKMT2AMEN1TP53GAA
SCHEMBL991684 0.73 POLB (0.48) RAB9AGAAKDM4ETSHRALDH1A1

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed