SCHEMBL7748971

SCHEMBL7748971

[O]c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
PTPN1 P18031 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
PGR P06401 1/20 0.38
GALR1 P47211 1/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL239776 0.90
SCHEMBL14677847 0.83 ALDH1A1 (0.38) BCL2L1CA2CA9ALDH1A1
SCHEMBL12562793 0.83 BCL2L1 (0.55) BCL2L1BADPTPN1MAOBNPC1
SCHEMBL197346 0.83 BCL2L1 (0.55) BCL2L1BADPTPN1MAOBNPC1
SCHEMBL10337645 0.83 BCL2L1 (0.55) BCL2L1BADPTPN1MAOBNPC1
SCHEMBL10300262 0.83 BCL2L1 (0.55) BCL2L1BADPTPN1MAOBNPC1
Formaldehyde SCHEMBL29071812 0.80 BCL2L1 (0.55) BCL2L1BADPTPN1MAOBNPC1
SCHEMBL29256311 0.76 BCL2L1 (0.50) BCL2L1BADPTPN1MAOBNPC1
SCHEMBL522432 0.75 HSPB1 (0.54) CES2CES1KDM4EALDH1A1
SCHEMBL2944704 0.73 BCL2L1 (0.48) BCL2L1BADPTPN1MAOBNPC1

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-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed