SCHEMBL29150458

SCHEMBL29150458

CC(COc1cc[c]cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
LMNA P02545 1/20 0.47
SCN4A P35499 4/20 0.46
IGLV6-57 P01721 1/20 0.44
TAAR1 Q96RJ0 3/20 0.42
FFAR1 O14842 1/20 0.40
BCHE P06276 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRB3 P13945 1/20 0.39
AOC3 Q16853 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 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
SCHEMBL21810947 0.87 LMNA (0.61) MAOAPTGS1LMNASCN4AIGLV6-57
SCHEMBL9769262 0.83 MAOA (0.45) MAOAPTGS1LMNASCN4AFFAR1
SCHEMBL15551593 0.83 TAAR1 (0.46) MAOAPTGS1LMNASCN4ATAAR1
SCHEMBL6956956 0.83 RIPK1 (0.43) MAOAPTGS1TAAR1BCHEAOC3
SCHEMBL1509392 0.79 SCN4A (0.43) MAOAPTGS1LMNASCN4AFFAR1
SCHEMBL9534764 0.79 LMNA (0.47) LMNASCN4ATAAR1ADRB2KMT2A
SCHEMBL10399445 0.79 HIF1A (0.52) PTGS1LMNASCN4AIGLV6-57FFAR1
SCHEMBL5134624 0.78 SCN4A (0.53) MAOAPTGS1LMNASCN4AFFAR1
SCHEMBL159889 0.77 MAPT (0.43) MAOAPTGS1LMNACYP2D6KMT2A
SCHEMBL20379103 0.76 LMNA (0.53) MAOAPTGS1LMNASCN4AIGLV6-57

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-114423742-B Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-05-28 CN disclosed
CN-117466830-A Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-01-30 CN disclosed