SCHEMBL28580041

SCHEMBL28580041

COC(=O)NC1CCC(NC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.41
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK2 O60674 1/20 0.36

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
SCHEMBL2050427 0.91 — —
SCHEMBL8464579 0.91 EPHX1 (0.46) EPHX1POLBNPSR1EPHX2ALDH1A1
SCHEMBL25657958 0.89 KMT2A (0.47) EPHX1NPSR1ALDH1A1RAB9ATSHR
SCHEMBL23735487 0.84 EPHX2 (0.56) EPHX1POLBEPHX2ALDH1A1RAB9A
SCHEMBL753965 0.83 ALDH1A1 (0.53) EPHX1POLBNPSR1EPHX2ALDH1A1
SCHEMBL753186 0.83 ALDH1A1 (0.53) EPHX1POLBNPSR1EPHX2ALDH1A1
SCHEMBL1344592 0.83 ALDH1A1 (0.53) EPHX1POLBNPSR1EPHX2ALDH1A1
SCHEMBL6658887 0.83 EPHX2 (0.50) EPHX1POLBEPHX2ALDH1A1RAB9A
SCHEMBL245467 0.83 — —
SCHEMBL12385850 0.82 EPHX1 (0.55) EPHX1ALDH1A1RAB9AMMP2MMP8

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
CN-113024417-B Method and device for strengthening separation in isocyanate preparation 中国科学院过程工程研究所 2021-08-31 — — CN disclosed
CN-113024417-A Method and device for strengthening separation in isocyanate preparation 中国科学院过程工程研究所 2021-06-25 — — CN disclosed
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