SCHEMBL29620619

SCHEMBL29620619

COCC(O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ LTA4H P09960 5/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ ADRB2 P07550 1/20 0.53
▸ ADRB1 P08588 1/20 0.53
▸ ADRB3 P13945 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PLA2G2A P14555 1/20 0.49

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
SCHEMBL4199108 0.93 LMNA (0.62) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL14901479 0.93 POLB (0.55) LMNALTA4HCYP2D6ADRB2ADRB1
SCHEMBL28727716 0.86 KDM1A (0.58) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL25688257 0.85 LMNA (0.53) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL1496637 0.84 LTA4H (0.58) LMNALTA4HCYP2D6ADRB2ADRB1
SCHEMBL14546244 0.84 TSHR (0.54) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL14901485 0.83 POLB (0.46) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL29620622 0.83 LTA4H (0.58) LMNALTA4HCYP2D6ADRB2ADRB1
SCHEMBL267463 0.83 LMNA (0.68) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL8994531 0.82 TSHR (0.56) LMNALTA4HCYP2D6ADRB2ADRB1

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-109641823-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2022-05-06 — — CN disclosed
Send feedback