SCHEMBL31376359

SCHEMBL31376359

CCCCCCCCc1ccc(C)cc1OP(O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.44
TSHR P16473 2/20 0.44
TYR P14679 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 4/20 0.40
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL11619606 0.88 MAPT (0.41) ALOX5TSHRTYRMEN1KMT2A
SCHEMBL10469151 0.81 MAPT (0.40) ALOX5TYRMEN1KMT2ATP53
SCHEMBL10790741 0.80 TYR (0.44) ALOX5TSHRTYRMEN1KMT2A
SCHEMBL29358468 0.80 TYR (0.44) ALOX5TSHRTYRMEN1KMT2A
SCHEMBL10883586 0.80 TYR (0.44) ALOX5TSHRTYRMEN1KMT2A
SCHEMBL8047086 0.80 TYR (0.44) ALOX5TSHRTYRMEN1KMT2A
SCHEMBL130578 0.80 TYR (0.44) ALOX5TSHRTYRMEN1KMT2A
SCHEMBL4443988 0.80 THRA (0.58) ALOX5PTGS2THRATHRBLIPG
SCHEMBL7196282 0.80 THRA (0.58) ALOX5PTGS2THRATHRBLIPG
SCHEMBL247534 0.80 THRA (0.58) ALOX5PTGS2THRATHRBLIPG

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
CN-119144243-A Surface protective film 日东电工株式会社 2024-12-17 CN disclosed