SCHEMBL11488455

SCHEMBL11488455

CCCO[PH](=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP2C19 P33261 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL11488537 0.89 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP3A4L3MBTL1
SCHEMBL563886 0.84 TP53 (0.41) TP53ALDH1A1TSHRSMN1; SMN2LOXL2
SCHEMBL969878 0.78 TSHR (0.46) LMNAKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL752002 0.76 KMT2A (0.41) LMNAMEN1KMT2ATP53ALDH1A1
SCHEMBL562623 0.75 LTA4H (0.39) TP53ALDH1A1TSHRCYP2C19
SCHEMBL10841134 0.74 TSHR (0.40) KMT2ATP53ALDH1A1TSHRLOXL2
SCHEMBL19974320 0.73 CA1 (0.43) TP53ALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL7051790 0.73 NPC1 (0.43) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL14501654 0.72 ALDH1A1 (0.39) TP53ALDH1A1TSHRNPC1RAB9A
SCHEMBL8483778 0.72 IDO1 (0.42) LMNAL3MBTL1MAPK1SMN1; SMN2NPC1

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
US-4232010-A CARDIOTONIC AND HYPOTENSIVE AGENTS KANEBO, LTD. (JP) 1980-11-04 US disclosed