SCHEMBL17850647

SCHEMBL17850647

CCCCNC(=O)CNC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.62
ACHE P22303 10/20 0.52
CASP2 P42575 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.45
FAAH O00519 1/20 0.44
NAAA Q02083 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL17850602 0.92 EPHX1 (0.75) EPHX1CASP2MEN1KMT2AFAAH
SCHEMBL18117414 0.88 EPHX1 (0.50) EPHX1ACHECASP2MEN1KMT2A
SCHEMBL514302 0.85
Ammonia Solution, Strong SCHEMBL28983308 0.83 EPHX1 (0.79) EPHX1ACHEBCHE
SCHEMBL11537151 0.79 PAOX (0.50) EPHX1ACHECASP2MEN1KMT2A
SCHEMBL21732752 0.79 EPHX1 (0.61) EPHX1CASP2MEN1KMT2ACNR1
SCHEMBL443246 0.79 EPHX1 (0.95) EPHX1ACHECASP2
SCHEMBL17850583 0.79 EPHX1 (0.43) EPHX1KMT2AFAAH
Carbamic Acid SCHEMBL27650019 0.78 EPHX1 (0.70) EPHX1ACHEBCHE
SCHEMBL19725138 0.78 CASP2 (0.48) EPHX1ACHECASP2MEN1KMT2A

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
EP-2714036-B1 SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS INC (US) 2016-06-22 EP disclosed