SCHEMBL9068005

SCHEMBL9068005

COc1cccc(C(c2ccccc2)(c2ccccc2)C(O)CCO)c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
AGTR1 P30556 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
NFE2L2 Q16236 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KCNA5 P22460 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8734436 0.90 SMN1; SMN2 (0.35) L3MBTL1TSHRAGTR1LMNACYP1A2
SCHEMBL9261650 0.89 TAS1R3 (0.36) TSHRNFE2L2SMN1; SMN2ALDH1A1NPC1
SCHEMBL9068000 0.87 AGTR1 (0.39) L3MBTL1TSHRAGTR1LMNACYP1A2
SCHEMBL5023010 0.84 CHRM2 (0.36) NFE2L2SMN1; SMN2NPC1RAB9A
SCHEMBL3238217 0.83 ALDH1A1 (0.43) L3MBTL1TSHRAGTR1LMNACYP1A2
SCHEMBL8729134 0.83 NFE2L2 (0.41) TSHRNFE2L2SMN1; SMN2ALDH1A1NPC1
SCHEMBL6854669 0.82 AGTR1 (0.38) L3MBTL1TSHRAGTR1LMNACYP1A2
SCHEMBL9559238 0.82 NFE2L2 (0.34) NFE2L2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9453918 0.81 AGTR1 (0.39) L3MBTL1TSHRAGTR1LMNACYP1A2
SCHEMBL6464526 0.79 HPGD (0.39) KDM4ESMN1; SMN2KMT2AATMHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427458-A Transglutaminase mediated conjugation 塔拉克治疗公司 2022-12-02 CN disclosed
WO-1996034008-A1 NOVEL ANTISENSE NUCLEIC ACIDS DIRECTED AGAINST RAS ONCOGENES, THEIR PREPARATION AND USE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1996-10-31 WO disclosed