SCHEMBL25800116

SCHEMBL25800116

CCCCCCCC/C=C\CCCCCCCC(=O)NC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2[C@H](C)CCC(=O)I)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.53
▸ HIF1A Q16665 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ EPHA2 P29317 5/20 0.53
▸ GPBAR1 Q8TDU6 4/20 0.53
▸ VDR P11473 3/20 0.53
▸ CASP7 P55210 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ MDM4 O15151 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSPD1 P10809 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ PTPN1 P18031 1/20 0.51

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
SCHEMBL16357781 1.00 USP2 (0.53) USP2HIF1ACYP3A4CYP2C9CYP2C19
SCHEMBL10226261 0.93 GPBAR1 (0.61) USP2HIF1ACYP3A4EPHA2GPBAR1
SCHEMBL18629123 0.93 USP2 (0.54) USP2HIF1ACYP3A4CYP2C9CYP2C19
SCHEMBL14978143 0.93 USP2 (0.54) USP2HIF1ACYP3A4CYP2C9CYP2C19
SCHEMBL10226251 0.93 GPBAR1 (0.61) USP2HIF1ACYP3A4EPHA2GPBAR1
SCHEMBL18629132 0.93 USP2 (0.54) USP2HIF1ACYP3A4CYP2C9CYP2C19
SCHEMBL24193196 0.92 USP2 (0.53) USP2HIF1ACYP3A4CYP2C9CYP2C19
SCHEMBL21101187 0.92 USP2 (0.53) USP2HIF1ACYP3A4CYP2C9CYP2C19
SCHEMBL18628061 0.91 USP2 (0.52) USP2HIF1ACYP3A4CYP2C9CYP2C19
SCHEMBL21101185 0.91 USP2 (0.52) USP2HIF1ACYP3A4CYP2C9CYP2C19

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
EP-3705125-B1 CARBOHYDRATE CONJUGATES AS DELIVERY AGENTS FOR OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS INC (US) 2023-07-05 — — EP disclosed
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