SCHEMBL8694785

SCHEMBL8694785

O=[C]C(CS)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.44
TAAR1 Q96RJ0 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACACB O00763 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8693057 0.91 SLC6A4 (0.55) SLC6A4TAAR1CYP2D6CYP3A4SLC6A2
SCHEMBL8692181 0.84 RAB9A (0.43) CYP2D6RAB9AACACBNPC1
SCHEMBL8697115 0.77 ACACB (0.44) SLC6A4TAAR1CYP2D6CYP3A4SLC6A2
SCHEMBL7925062 0.73 CYP2D6 (0.50) SLC6A4TAAR1CYP2D6CYP3A4RAB9A
SCHEMBL5018909 0.72 TAAR1 (0.59) SLC6A4TAAR1CYP2D6CYP3A4SLC6A2
SCHEMBL11193009 0.72 ALDH1A1 (0.46) SLC6A4TAAR1CYP2D6CYP3A4RAB9A
SCHEMBL8692093 0.71 CYP3A4 (0.51) SLC6A4TAAR1CYP2D6CYP3A4SLC6A2
SCHEMBL8695531 0.71 NPC1 (0.38) RAB9AALDH1A1LMNAHPGDNPC1
SCHEMBL22885190 0.69 TAAR1 (0.81) SLC6A4TAAR1CYP2D6CYP3A4SLC6A2
SCHEMBL98038 0.69 TAAR1 (0.56) SLC6A4TAAR1CYP2D6CYP3A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846956-A Amino acids derivatives, the process for their preparation and their applications to therapy SOCIETE CIVILE BIOPROJET (FR) 1998-12-08 US claimed
US-5846956-A Amino acids derivatives, the process for their preparation and their applications to therapy SOCIETE CIVILE BIOPROJET (FR) 1998-12-08 US disclosed
US-5670531-A ENKEPHALINASE OR ANGIOTENSIN CONVERTING ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-09-23 US disclosed