SCHEMBL8625044

SCHEMBL8625044

O=[C]C(NC(=O)N1CCN(C2CC2)C(=O)C1=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ TP53 P04637 1/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCKBR P32239 1/20 0.32
▸ IL4I1 Q96RQ9 1/20 0.32
▸ PRCP P42785 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MTR Q99707 1/20 0.32

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
SCHEMBL10543810 0.94 CNR1 (0.37) CTSSLMNAIL4I1
SCHEMBL8622094 0.80 MEN1 (0.38) CTSSPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL8626971 0.78 POLB (0.38) CTSSPOLBIDH1MEN1KMT2A
SCHEMBL10546806 0.77 HTT (0.43) CTSSCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL8077395 0.77 KMT2A (0.38) CTSSPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL8623693 0.77 ALDH1A1 (0.46) POLBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL8082394 0.77 CHRM1 (0.36) CTSSPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL10545517 0.76 ALDH1A1 (0.37) TP53CTSSPOLBCACNA2D1CACNA1B
SCHEMBL10645319 0.75 TSHR (0.39) LMNAMEN1KMT2ACCKBRIL4I1
SCHEMBL10645325 0.75 HTT (0.40) TP53POLBLMNAMEN1KMT2A

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
EP-0503597-B1 Penam derivatives and processes for producing the same OTSUKA KAGAKU KK (JP) 1998-06-10 — — EP disclosed
US-5599925-A BACTERICIDES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-02-04 — — US disclosed
US-5300497-A Broad spectrum antibiotics and bactericides; stable to beta-lactamase; effective against antibiotic-resistant bacteria TOYAMA CHEMICAL CO., LTD. (JP) 1994-04-05 — — US disclosed
US-5185330-A Penicillins/ad/ TOYAMA CHEMICAL CO., LTD. (JP) 1993-02-09 — — US disclosed
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