SCHEMBL8785800

SCHEMBL8785800

C[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.47
RORC P51449 2/20 0.43
ABCB1 P08183 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KLK7 P49862 2/20 0.41
ELANE P08246 1/20 0.40
NR1H2 P55055 3/20 0.40
RXRA P19793 2/20 0.40
NR1H3 Q13133 2/20 0.40
POLB P06746 1/20 0.40
KLK5 Q9Y337 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
BCHE P06276 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL15850701 0.84 RIPK1 (0.61) RIPK1RORCABCB1GPR119MEN1
SCHEMBL10061592 0.84 RIPK1 (0.61) RIPK1RORCABCB1GPR119MEN1
SCHEMBL248353 0.84 RIPK1 (0.61) RIPK1RORCABCB1GPR119MEN1
SCHEMBL29695962 0.81 MDM2 (0.42) RIPK1RORCABCB1GPR119MEN1
SCHEMBL14199221 0.81 ELANE (0.44) RIPK1RORCABCB1GPR119KLK7
SCHEMBL9924398 0.81 ELANE (0.44) RIPK1RORCABCB1GPR119KLK7
SCHEMBL14050230 0.78 ELANE (0.44) RIPK1RORCABCB1GPR119KLK7
SCHEMBL16237822 0.78 ELANE (0.44) RIPK1RORCABCB1GPR119KLK7
SCHEMBL5963534 0.78 ELANE (0.44) RIPK1RORCABCB1GPR119KLK7
SCHEMBL8952612 0.76 ABCB1 (0.47) RIPK1RORCABCB1GPR119KLK7

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-0756590-A1 SYNTHESIS OF PROTOTYPES FOR RENIN INHIBITORS Novartis AG (CH) 1997-02-05 EP disclosed
WO-1995029150-A1 SYNTHESIS OF PROTOTYPES FOR RENIN INHIBITORS CIBA-GEIGY AG (CH) 1995-11-02 WO disclosed