SCHEMBL9380747

SCHEMBL9380747

CCC(CC=CC(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
LMNA P02545 4/20 0.41
CCR5 P51681 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL17460171 0.89 GABBR2 (0.44) HCAR2LMNAGABBR2GABBR1CYP2C19
SCHEMBL17730855 0.84 GABBR2 (0.41) HCAR2LMNAGABBR2GABBR1CYP2C19
SCHEMBL17730856 0.84 GABBR2 (0.41) HCAR2LMNAGABBR2GABBR1CYP2C19
SCHEMBL3144362 0.83 HCAR2 (0.44) HCAR2LMNAPOLBCYP2C19CYP2D6
SCHEMBL7239259 0.83 HCAR2 (0.44) HCAR2LMNAPOLBCYP2C19CYP2D6
SCHEMBL7238650 0.83 HCAR2 (0.44) HCAR2LMNAPOLBCYP2C19CYP2D6
SCHEMBL19899231 0.80 GABBR2 (0.41) HCAR2GABBR2GABBR1POLBCYP2C19
SCHEMBL7374430 0.79 HCAR2 (0.49) HCAR2CYP2C19CYP3A4KDM4ERAB9A
SCHEMBL5853851 0.78 LMNA (0.42) LMNACCR5CYP2D6SMN1; SMN2TAAR1
SCHEMBL10640640 0.78 LMNA (0.42) LMNACCR5POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed