SCHEMBL22906090

SCHEMBL22906090

COCCOCCOCCOc1c(C)cc(C)c(C=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
RECQL P46063 2/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.35
KDM4E B2RXH2 5/20 0.34
TNFRSF1A P19438 1/20 0.32
HSD17B10 Q99714 1/20 0.31
SRC P12931 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL24982920 1.00 ALDH1A1 (0.40) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL23268467 0.87 TDP1 (0.36) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL23268458 0.87 TDP1 (0.36) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL25836799 0.87 HTR1A (0.41) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL22906145 0.81 IGF1R (0.32) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL20906675 0.80 GAA (0.37) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL22897420 0.79 TDP1 (0.34) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL26225294 0.78 MAPT (0.38) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL22897454 0.76 SRC (0.44) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL22906085 0.76 ALDH1A1 (0.38) ALDH1A1MAPTTDP1L3MBTL1MEN1

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-2021009734-A1 RADIOPAQUE POLYMERS BIOCOMPATIBLES UK LIMITED (GB) 2021-01-21 WO disclosed