SCHEMBL29120159

SCHEMBL29120159

COc1ccc2oc(OC(F)C(F)F)cc(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
HPGD P15428 6/20 0.57
KDM4E B2RXH2 6/20 0.57
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL29120210 0.83 MAPT (0.48) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL29120190 0.82 GABRP (0.50) ALDH1A1HPGDKDM4ELMNAABCG2
SCHEMBL29120178 0.81 GABRP (0.48) MAPTTP53CYP3A4MAPK1CSNK2A2
SCHEMBL29120199 0.81 ADCY1 (0.49) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL29120189 0.80 PON1 (0.42) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL29120158 0.79 NPC1 (0.45) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL29120179 0.76 GABRP (0.50) MAPTMEN1KMT2APOLBCSNK2A2
SCHEMBL29120196 0.75 ALDH1A1 (0.60) ALDH1A1HPGDMAPTSMN1; SMN2TP53
SCHEMBL29627446 0.75 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL28739748 0.75 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560837-B Chromone compound and preparation method and application thereof 五邑大学 2023-11-24 CN disclosed