SCHEMBL7651041

SCHEMBL7651041

CC(C)=CCN1C(=O)C(C(=O)Cc2ccccc2)C(=O)N(CC=C(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.45
LMNA P02545 2/20 0.40
ABCB11 O95342 1/20 0.40
PTGS1 P23219 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
FAAH O00519 1/20 0.35
CES1 P23141 2/20 0.35
CES2 O00748 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL7658829 0.95 EP300 (0.53) EP300LMNAABCB11PTGS1MEN1
SCHEMBL7660452 0.90 CCKBR (0.39) EP300LMNAABCB11PTGS1MAPT
SCHEMBL7839682 0.85 LMNA (0.36) EP300LMNAABCB11PTGS1MEN1
SCHEMBL7655852 0.82 EP300 (0.46) EP300LMNAMEN1KMT2AHPGD
SCHEMBL7658228 0.82 EP300 (0.50) EP300MEN1KMT2AHTTF2
SCHEMBL7657008 0.80 EP300 (0.68) EP300LMNAMEN1KMT2AHPGD
SCHEMBL7665570 0.80 MAPT (0.39) MEN1KMT2AHPGDMAPTHTT
SCHEMBL6841466 0.75 ALDH1A1 (0.53) EP300LMNAMEN1KMT2AHPGD
SCHEMBL7665537 0.72 EP300 (0.53) EP300MEN1KMT2AMAPTHTT
SCHEMBL11375405 0.69 EP300 (0.69) EP300MEN1KMT2AMAPTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498164-B1 SUCH AS 1,3-DIBENZYL-5-(PHENYL- OR 2-THIENYL-ACETYL)BARBI-TURIC ACID; MALIGNANT HYPERCALCEMIA, OSTEOLYTIC DISEASES SUCH AS PAGET'S DISEASE, OSTEOPOROSIS, ARTICULAR RHEUMATISM OCCURRING IN KNEES, SHOULDERS, JOINTS AVENTIS PHARMA S.A. (FR) 2002-12-24 US disclosed