SCHEMBL8196356

SCHEMBL8196356

O=C(O)c1cc2c(cc1OCC(F)(F)C(F)(F)F)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
RXRA P19793 8/20 0.38
RXRB P28702 7/20 0.38
RXRG P48443 6/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HNF4A P41235 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
DHODH Q02127 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7485862 0.84 KDM4E (0.47) HSD17B10ALOX15TSHRKDM4EHPGD
SCHEMBL7485060 0.80 SMN1; SMN2 (0.40) TSHRKDM4EHPGDALDH1A1RAB9A
SCHEMBL8196811 0.75 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL1487907 0.71 KDM4E (0.51) HSD17B10ALOX15TSHRRXRAKDM4E
SCHEMBL23090368 0.70 DHODH (0.53) HSD17B10ALOX15KDM4EHPGDALDH1A1
SCHEMBL818480 0.70 ALDH1A1 (0.59) HSD17B10ALOX15TSHRRXRARXRB
SCHEMBL1814036 0.69 LMNA (0.48) TSHR
SCHEMBL7797975 0.68 KDM4E (0.51) HSD17B10ALOX15KDM4EHPGDALDH1A1
SCHEMBL7485063 0.68 PLA2G2A (0.33) RXRARXRBRXRG
SCHEMBL2273298 0.68 ALDH1A1 (0.47) TSHRKDM4EALDH1A1NPC1RAB9A

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
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed