SCHEMBL4597980

SCHEMBL4597980

Cc1cccc([C@@H](C)NC(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KMT2A Q03164 4/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.41
TRPA1 O75762 1/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41

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
SCHEMBL11294913 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL4329941 0.81 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4597214 0.80 TSHR (0.45) HSD17B10KMT2ACA1CA2TSHR
SCHEMBL27244976 0.78 POLB (0.54) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5623571 0.78 POLB (0.54) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3290293 0.78 HPGD (0.50) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL99348 0.74 GABRA1 (0.73) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL921042 0.74 ALDH1A1 (0.59) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL30345339 0.74 GABRA1 (0.73) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL28581525 0.74 HPGD (0.50) HPGDALDH1A1KDM4EHSD17B10LMNA

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed