SCHEMBL31538475

SCHEMBL31538475

COC(CO)COc1ccc(CC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PTGS1 P23219 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ PLA2G4B P0C869 1/20 0.45
▸ LTB4R Q15722 4/20 0.43
▸ LTB4R2 Q9NPC1 4/20 0.43
▸ ALOX5 P09917 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CAMK2A Q9UQM7 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ CNR1 P21554 1/20 0.40

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
SCHEMBL14423980 0.81 CYP2C9 (0.72) CYP2C9TSHRPOLBLMNA
SCHEMBL3644918 0.79 MAPT (0.51) TSHRKDM4EPOLBPLA2G4BLMNA
SCHEMBL31490932 0.79 PLA2G4B (0.41) CYP2C9TSHRKDM4EPOLBPTGS1
SCHEMBL3081620 0.79 TSHR (0.73) CYP2C9TSHRPTGS1LMNAADRB2
SCHEMBL15801032 0.79 TSHR (0.73) CYP2C9TSHRPTGS1LMNAADRB2
SCHEMBL11155906 0.78 CA2 (0.54) TSHRKDM4EPOLBPTGS1AKR1C3
SCHEMBL9742465 0.77 LMNA (0.56) TSHRKDM4EPOLBPLA2G4BSRD5A2
SCHEMBL9161169 0.77 TSHR (0.66) CYP2C9TSHRPTGS1ALOX5LMNA
SCHEMBL963427 0.76 ACACB (0.49) TSHRKDM4EPOLBPTGS1AKR1C3
SCHEMBL11261771 0.75 AR (0.58) KDM4EPOLBPTGS1AKR1C3AKR1C2

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-119842165-A Method for preparing exterior wall flame-retardant material from waste plastics 东莞市众一新材料科技有限公司 2025-04-18 — — CN claimed
Send feedback