SCHEMBL8536651

SCHEMBL8536651

O=CNCCC(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.40
ADH1A P07327 4/20 0.40
ADH7 P40394 3/20 0.40
ADH1C P00326 3/20 0.37
EPHX1 P07099 1/20 0.36
ADH4 P08319 1/20 0.36
ENPEP Q07075 1/20 0.33
FOLH1 Q04609 1/20 0.32
GGT1 P19440 1/20 0.31

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
SCHEMBL3664299 0.81 TET2 (0.44) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL27839470 0.81 TET2 (0.44) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL28144230 0.79 GSR (0.46) GGT1
SCHEMBL17017527 0.79 GABRR1 (0.52) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL14882799 0.76 SLC1A3 (0.39) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL7489908 0.74 HDAC1 (0.61) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL15903900 0.74 ADH1B (0.37) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL8535256 0.74 ADH1B (0.41) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3598306 0.74
SCHEMBL23099385 0.72 LTA4H (0.47) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US claimed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP claimed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO claimed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed