SCHEMBL9646992

SCHEMBL9646992

CCCCC(c1c[nH]cn1)c1cccc(C(=O)O)c1O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC37A4 O43826 1/20 0.36
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
BRS3 P32247 3/20 0.35
ALB P02768 1/20 0.33
TSHR P16473 1/20 0.33
MMP2 P08253 1/20 0.33

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
Hydrochloric Acid SCHEMBL10402146 0.99 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10SLC37A4
SCHEMBL9648193 0.91 RPS6KB1 (0.40) KDM4EALDH1A1HPGDHSD17B10SLC37A4
Hydrochloric Acid SCHEMBL10402111 0.90 RPS6KB1 (0.39) KDM4EALDH1A1HPGDHSD17B10SLC37A4
SCHEMBL10402138 0.88 TSHR (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL9518223 0.82 IAPP (0.31)
SCHEMBL9647534 0.81 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2100736 0.78 ADRA2A (0.36) TSHR
SCHEMBL10547608 0.77 CYP19A1 (0.42) MEN1KMT2ATSHR
SCHEMBL9766367 0.76 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10SLC37A4
SCHEMBL28349037 0.74 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10SLC37A4

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
EP-0341231-B1 SUBSTITUTED 1-(1H-IMIDAZOL-4-YL)ALKYL BENZAMIDES U C B, S.A. (BE) 1992-11-19 EP disclosed
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 US disclosed
EP-0341231-A1 Substituted 1-(1H-imidazol-4-yl)alkyl benzamides U C B, S.A. (BE) 1989-11-08 EP disclosed