SCHEMBL9735108

SCHEMBL9735108

CCOCCNC(=O)CO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PCNA P12004 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5143610 0.88 RAB9A (0.54) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL20115945 0.86 MEN1 (0.45) EPHX2ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL10304153 0.84 MEN1 (0.56) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL27447771 0.83 NAAA (0.53) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL23677003 0.83 ALDH1A1 (0.47) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL13687327 0.83 ALDH1A1 (0.48) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL18199506 0.81 MEN1 (0.52) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL14222831 0.81 CA2 (0.44) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL17145353 0.81 EPHX2 (0.42) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL459746 0.81 EPHX2 (0.42) EPHX2ALDH1A1RAB9ASMN1; SMN2TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP claimed
EP-0365541-B1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO S.p.A. (IT) 1992-08-12 EP disclosed
US-5066823-A Rearrangement reaction, contrast agent for radiology BRACCO INDUSTRIA CHEMICA S.P.A. (IT) 1991-11-19 US disclosed
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
EP-0365541-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES. BRACCO IND CHIMICA SPA (IT) 1990-05-02 EP disclosed
WO-1988009328-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1988-12-01 WO disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP disclosed