SCHEMBL8697115

SCHEMBL8697115

CC(=O)SCC([C]=O)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
CYP3A4 P08684 2/20 0.40
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
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL8410291 0.93 HRH4 (0.51) HRH4CYP3A4ALDH1A1LMNAGAA
SCHEMBL8697924 0.87 ACACB (0.47) ACACBHRH4RAB9AHDAC3HDAC4
SCHEMBL8695524 0.81 HRH4 (0.54) ACACBHRH4CYP3A4RAB9AALDH1A1
SCHEMBL8694785 0.77 SLC6A4 (0.44) ACACBCYP3A4RAB9AALDH1A1USP2
SCHEMBL8694908 0.76 MAOA (0.38) ALDH1A1LMNA
SCHEMBL8692729 0.76 NPC1 (0.40) RAB9AALDH1A1LMNAHPGDCYP1A2
SCHEMBL8894820 0.76 HRH4 (0.49) HRH4CYP3A4ALDH1A1LMNAGAA
SCHEMBL27337151 0.74 MME (0.49) CYP3A4RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL5913510 0.73 HRH4 (0.62) HRH4CYP3A4ALDH1A1LMNAGAA
SCHEMBL5913277 0.73 HRH4 (0.62) HRH4CYP3A4ALDH1A1LMNAGAA

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
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