SCHEMBL31266976

SCHEMBL31266976

CC(C)(C)c1cc(C(C(=O)c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
PTPN1 P18031 2/20 0.47
TNFRSF1A P19438 1/20 0.47
CACNA1A O00555 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNB1 Q02641 1/20 0.45
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 4/20 0.43
ALOX5 P09917 2/20 0.43
PTGS1 P23219 1/20 0.43
LMNA P02545 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL31266994 0.92 L3MBTL1 (0.50) L3MBTL1TDP1PTPN1TNFRSF1ACACNA1A
SCHEMBL31266984 0.92 TDP1 (0.50) L3MBTL1TDP1PTPN1TNFRSF1ACACNA1A
SCHEMBL31266990 0.90 TDP1 (0.49) L3MBTL1TDP1PTPN1TNFRSF1ACACNA1A
SCHEMBL31266988 0.90 L3MBTL1 (0.49) L3MBTL1TDP1PTPN1TNFRSF1ACACNA1A
SCHEMBL31266977 0.88 SLC6A2 (0.47) L3MBTL1TDP1PTPN1TNFRSF1ACACNA1A
SCHEMBL31266975 0.88 POLB (0.48) L3MBTL1TDP1CYP3A4CYP1A2LMNA
SCHEMBL31266968 0.88 TDP1 (0.46) L3MBTL1TDP1PTPN1TNFRSF1ACACNA1A
SCHEMBL31266964 0.86 GPR139 (0.46) L3MBTL1TDP1CES2CES1MEN1
SCHEMBL31266966 0.83 CA12 (0.44) L3MBTL1TDP1TNFRSF1ACYP3A4CYP1A2
SCHEMBL8827076 0.83 CES2 (0.56) L3MBTL1TDP1PTPN1TNFRSF1ACACNA1A

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-119143591-A Benzyl benzoyl or fluoro alkane substituted phenol compound and synthetic method and application thereof 河北中医药大学 2024-12-17 CN disclosed