SCHEMBL11545978

SCHEMBL11545978

Cc1c(CC(=O)O)oc2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.61
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAOB P27338 1/20 0.46
TTR P02766 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
P2RX3 P56373 1/20 0.45
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL11542270 0.84 MAPT (0.54) KCNH2KDM4EALDH1A1HPGDMEN1
SCHEMBL11542872 0.83 RAB9A (0.46) MCL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4451342 0.81 MCL1 (0.55) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL11543638 0.79 PON1 (0.45) MCL1KDM4EALDH1A1
SCHEMBL11544887 0.79 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11544580 0.79 L3MBTL1 (0.45) KDM4ECA12CA9
SCHEMBL8401455 0.79 LMNA (0.47) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL8399463 0.78 CA1 (0.52) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4452101 0.78 MCL1 (0.51) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL7030133 0.78 KCNH2 (0.48) KCNH2KDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172145-A ANALGESICS, ANTIPYRETICS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 US claimed
US-4172145-A ANALGESICS, ANTIPYRETICS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 US disclosed
US-4126625-A ANTIPHLOGISTIC, ANALGESIC KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1978-11-21 US disclosed