SCHEMBL30416166

SCHEMBL30416166

CC(C)(c1cccc(-c2ccccc2O)c1)c1cccc(-c2ccccc2O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.62
CNR2 P34972 4/20 0.62
PTPN5 P54829 6/20 0.59
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
BCL2L1 Q07817 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ESR2 Q92731 3/20 0.48
ESR1 P03372 3/20 0.48
CYP3A4 P08684 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 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
SCHEMBL27587036 0.89 PTPN5 (0.59) CNR1CNR2PTPN5ALDH1A1HPGD
SCHEMBL4313235 0.86 ESR1 (0.59) CNR1CNR2PTPN5ALDH1A1HPGD
SCHEMBL30689246 0.81 PTPN5 (0.69) CNR2PTPN5ALDH1A1HPGDBCL2L1
SCHEMBL2048141 0.81 PTPN5 (0.69) CNR2PTPN5ALDH1A1HPGDBCL2L1
SCHEMBL9769821 0.81 CNR2 (0.55) CNR1CNR2PTPN5ALDH1A1ESR2
SCHEMBL29944266 0.80 HPGD (0.71) PTPN5ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL7570908 0.80 HPGD (0.71) PTPN5ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL11067075 0.79 ALDH1A1 (0.59) CNR1CNR2PTPN5ALDH1A1HPGD
SCHEMBL25404377 0.79 CNR1 (0.59) CNR1CNR2PTPN5ALDH1A1HPGD
SCHEMBL2416998 0.79 ALDH1A1 (0.58) CNR1CNR2PTPN5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302714-A Sealing agent for liquid crystal display element and liquid crystal display element 积水化学工业株式会社 2024-07-05 CN disclosed
CN-117043669-A Sealing agent for liquid crystal display element and liquid crystal display element 积水化学工业株式会社 2023-11-10 CN disclosed
CN-116157270-A Curable resin, curable resin composition, and cured product DIC株式会社 2023-05-23 CN disclosed