SCHEMBL28630822

SCHEMBL28630822

CCC(NC(=O)C(F)(F)F)(Oc1ccc2c(ccn2-c2ccc(F)cc2)c1)c1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
NR3C1 P04150 5/20 0.43
PGR P06401 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KCNH2 Q12809 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29205228 0.85 NR3C1 (0.60) NR3C1PGR
SCHEMBL28630821 0.75 NR3C1 (0.73) NR3C1PGR
SCHEMBL3583710 0.74 NR3C1 (0.51) NR3C1PGR
SCHEMBL3583714 0.74 NR3C1 (0.51) NR3C1PGR
SCHEMBL8174904 0.73 KCNH2 (0.60) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3599365 0.67 NR3C1 (0.51) NR3C1PGR
SCHEMBL3599363 0.67 NR3C1 (0.51) NR3C1PGR
SCHEMBL10193341 0.66 ROCK1 (0.55) HPGDALDH1A1KDM4ESMN1; SMN2KCNH2
SCHEMBL6298998 0.65 L3MBTL1 (0.47) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL149014 0.64 KDM4E (0.54) HPGDALDH1A1KDM4ELMNASMN1; SMN2

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-113382730-A Selective glucocorticoid receptor modifiers for treatment of impaired skin wound healing 阿克里斯生物医药有限公司 2021-09-10 CN disclosed