SCHEMBL10944809

SCHEMBL10944809

COc1cc2ccccc2c(C(=O)O)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALOX15 P16050 1/20 0.44
CDC25B P30305 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ATM Q13315 4/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4274545 0.82 KDM4E (0.61) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL10949054 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10CDC25B
SCHEMBL3370837 0.79 MEN1 (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1671183 0.79 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL10947033 0.78 KMT2A (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7616763 0.76 KDM4E (0.54) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7287467 0.75 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL4788678 0.75 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL979842 0.73 CA12 (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL17841057 0.73 SLC22A6 (0.40) KDM4EMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4562286-A Process for preparing methoxytrifluoromethylnaphthoic acid from dimethylnaphthalene OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-31 US claimed
US-4560794-A Process for preparing methoxytrifluoromethylnaphthoic acid from methylnaphthoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-24 US claimed
US-4562286-A Process for preparing methoxytrifluoromethylnaphthoic acid from dimethylnaphthalene OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-31 US disclosed
US-4562286-A Process for preparing methoxytrifluoromethylnaphthoic acid from dimethylnaphthalene OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-31 US disclosed
US-4562286-A Process for preparing methoxytrifluoromethylnaphthoic acid from dimethylnaphthalene OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-31 US disclosed
US-4560794-A Process for preparing methoxytrifluoromethylnaphthoic acid from methylnaphthoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-24 US disclosed
US-4560794-A Process for preparing methoxytrifluoromethylnaphthoic acid from methylnaphthoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-24 US disclosed
US-4560794-A Process for preparing methoxytrifluoromethylnaphthoic acid from methylnaphthoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-24 US disclosed