SCHEMBL7741228

SCHEMBL7741228

CCOCOC[C@H](C[C@H](COCc1ccccc1)C(=O)O)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.46
KMT2A Q03164 4/20 0.43
HSP90AA1 P07900 1/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIN1 Q13526 1/20 0.39
CTSL P07711 1/20 0.38
CNR1 P21554 1/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSB P07858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HDAC3 O15379 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7741226 1.00 SLC1A1 (0.46) SLC1A1KMT2AHSP90AA1LMNAALDH1A1
SCHEMBL7740365 0.92 KMT2A (0.42) SLC1A1KMT2AHSP90AA1LMNAALDH1A1
SCHEMBL7740367 0.92 KMT2A (0.42) SLC1A1KMT2AHSP90AA1LMNAALDH1A1
SCHEMBL7739358 0.90 SLC1A1 (0.46) SLC1A1PIN1CTSLCNR1HPGD
SCHEMBL7739357 0.90 SLC1A1 (0.46) SLC1A1PIN1CTSLCNR1HPGD
SCHEMBL7743872 0.87 HPGD (0.42) KMT2AHSP90AA1LMNAALDH1A1MEN1
SCHEMBL7743871 0.87 HPGD (0.42) KMT2AHSP90AA1LMNAALDH1A1MEN1
SCHEMBL7741112 0.87 NPC1 (0.48) SLC1A1KMT2AALDH1A1MEN1CNR1
SCHEMBL7741115 0.87 NPC1 (0.48) SLC1A1KMT2AALDH1A1MEN1CNR1
SCHEMBL7735001 0.87 HPGD (0.44) KMT2AHSP90AA1LMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed