SCHEMBL28488591

SCHEMBL28488591

CCCCc1cccc(P(=O)(O)O)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
TSHR P16473 2/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PTK2B Q14289 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL1537965 0.92 GABRA1 (0.36) TSHRNPC1POLBPTK2BLTB4R
SCHEMBL11415552 0.89 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL598721 0.89 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5852627 0.89 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL6441595 0.89 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL6441107 0.89 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL18334406 0.89 GABRA1 (0.38) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL18261811 0.88 GABRA1 (0.41) TSHRNPC1POLBPTK2B
SCHEMBL342875 0.83 LIPG (0.44) LIPGTSHRNPC1POLBPTK2B
Fluoride SCHEMBL29262357 0.81 LIPG (0.43) LIPGTSHRNPC1POLBPTK2B

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-108864183-B Method for synthesizing organophosphorus compound by catalyzing Atherton-Todd reaction through photoinduced iodine 河南大学 2020-11-03 CN disclosed