SCHEMBL29818705

SCHEMBL29818705

Cc1cc(C=O)c(-c2ccccc2)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
CYP2A6 P11509 1/20 0.38

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
SCHEMBL29818666 0.92 ALDH1A1 (0.47) ALDH1A1TSHRNPC1RAB9AESR2
SCHEMBL31717974 0.88 KMT2A (0.50) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL26908514 0.87 ALDH1A1 (0.37) ALDH1A1TSHRNPC1RAB9AESR2
SCHEMBL26908526 0.85 ALDH1A1 (0.35) ALDH1A1TSHRNPC1RAB9AESR2
SCHEMBL26908548 0.81 ALDH1A1 (0.37) ALDH1A1TSHRNPC1RAB9AESR2
SCHEMBL29057804 0.80 ALDH1A1 (0.42) ALDH1A1TSHRNPC1RAB9AESR2
SCHEMBL26908564 0.78 ALDH1A1 (0.35) ALDH1A1TSHRNPC1RAB9AESR2
SCHEMBL13324712 0.78 ALDH1A1 (0.52) ALDH1A1TSHRNPC1RAB9AESR2
SCHEMBL28988462 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTDP1MAPTKDM4E
SCHEMBL4851358 0.77 PSMB5 (0.46) ALDH1A1TSHRNPC1RAB9AESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 EP disclosed
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
WO-2022163674-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME 三菱瓦斯化学株式会社 2022-08-04 WO disclosed
WO-2022163684-A1 CYCLIC DIOL COMPOUND, METHOD FOR PRODUCING SAID COMPOUND, AND USE OF SAID COMPOUND 新日本理化株式会社 2022-08-04 WO disclosed