SCHEMBL9629368

SCHEMBL9629368

CCC(=O)Oc1cc(OC)c(OC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
FGFR1 P11362 1/20 0.41
VCP P55072 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
HPGDS O60760 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
STAT6 P42226 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 3/20 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
SCHEMBL9628154 0.94 HTT (0.44) HTTL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9628751 0.89 MEN1 (0.42) HTTL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9627936 0.88 ALDH1A1 (0.43) HTTL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9627534 0.85 L3MBTL1 (0.43) L3MBTL1ALDH1A1FGFR1VCPHPGDS
SCHEMBL9629315 0.85 TOP2A (0.48) ALDH1A1KDM4ELMNAALOX15KMT2A
SCHEMBL9660313 0.84 KDM4E (0.47) HTTL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9628295 0.84 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9627564 0.84 ALOX15 (0.43) HTTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL10698804 0.83 HTT (0.64) HTTALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL9660739 0.82 HTT (0.46) HTTL3MBTL1ALDH1A1SMN1; SMN2KDM4E

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-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US claimed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP claimed