SCHEMBL550593

SCHEMBL550593

CC(C)(C)C1C[C@]2(CCCN(C(=O)O)C2)C(=O)N1c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NOTUM Q6P988 2/20 0.34
HSD11B1 P28845 4/20 0.34
HTR7 P34969 1/20 0.34
MCHR1 Q99705 1/20 0.33
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
USP30 Q70CQ3 1/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL3700174 0.76 HSD11B1 (0.46) NOTUMHSD11B1MCHR1USP30
SCHEMBL2703017 0.76 HSD11B1 (0.46) NOTUMHSD11B1MCHR1USP30
SCHEMBL550592 0.68 USP30 (0.57) MEN1KMT2AHSD11B1CYBBNOX5
SCHEMBL18192079 0.66 KCNJ1 (0.35)
SCHEMBL20142342 0.65 NOTUM (0.51) MEN1KMT2ACRHBPCRHR2NOTUM
SCHEMBL20139276 0.64 AKR1C3 (0.57) MEN1KMT2ANOTUMHTR7ALDH1A1
SCHEMBL2857040 0.63 AKR1C3 (0.64) MEN1KMT2ANOTUMHTR7ALDH1A1
SCHEMBL17081996 0.62 AKR1C3 (0.46) MEN1KMT2ANOTUMHSD11B1HTR7
SCHEMBL550501 0.62 AKR1C3 (0.46) MEN1KMT2ANOTUMHSD11B1HTR7
SCHEMBL550502 0.62 AKR1C3 (0.46) MEN1KMT2ANOTUMHSD11B1HTR7

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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed