SCHEMBL7941232

SCHEMBL7941232

CC(C1CCC1)C(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ADRA2C P18825 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HIF1A Q16665 2/20 0.48
LMNA P02545 2/20 0.48
ADRA2A P08913 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA1A P35348 1/20 0.46
RGS12 O14924 1/20 0.46
GLA P06280 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL7492151 1.00 GAA (0.55) GAAL3MBTL1ADRA2CKDM4EHIF1A
SCHEMBL4380710 0.80 GAA (0.59) GAAL3MBTL1ADRA2CKDM4EHIF1A
SCHEMBL20144686 0.80 GAA (0.64) GAAL3MBTL1ADRA2CKDM4EHIF1A
SCHEMBL5680194 0.80 IDO1 (0.47) GAAL3MBTL1ADRA2CKDM4EHIF1A
SCHEMBL20144709 0.79 GAA (0.62) GAAL3MBTL1ADRA2CKDM4EHIF1A
SCHEMBL6704159 0.78 IDO1 (0.50) GAAL3MBTL1ADRA2CKDM4ELMNA
SCHEMBL16191370 0.76 GAA (0.58) GAAL3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL5372125 0.76 GAA (0.49) GAAL3MBTL1KDM4EHIF1ALMNA
SCHEMBL8705439 0.75 KDM4E (0.53) GAAL3MBTL1KDM4EHIF1ALMNA
SCHEMBL3310267 0.75 CYP1A2 (0.53) L3MBTL1KDM4EHIF1ALMNACYP2D6

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-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed