SCHEMBL28422293

SCHEMBL28422293

CCCCC(CC)COC(=O)C=Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.77
ALDH1A1 P00352 5/20 0.52
CA2 P00918 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 2/20 0.49
LMNA P02545 6/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
SRD5A2 P31213 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL28422292 1.00 TDP1 (0.77) TDP1ALDH1A1CA2CYP3A4TSHR
SCHEMBL483427 0.91 TDP1 (0.76) TDP1ALDH1A1CA2CYP3A4TSHR
SCHEMBL483426 0.91 TDP1 (0.76) TDP1ALDH1A1CA2CYP3A4TSHR
SCHEMBL28188071 0.89 TDP1 (0.74) TDP1ALDH1A1CA2CYP3A4TSHR
SCHEMBL19244318 0.88 TDP1 (0.73) TDP1ALDH1A1CA2CYP3A4TSHR
SCHEMBL19244317 0.88 TDP1 (0.73) TDP1ALDH1A1CA2CYP3A4TSHR
Octinoxate SCHEMBL15803545 0.87 TDP1 (1.00) TDP1ALDH1A1CA2CYP3A4TSHR
Octinoxate SCHEMBL30252195 0.87 TDP1 (1.00) TDP1ALDH1A1CA2CYP3A4TSHR
Octinoxate SCHEMBL15609 0.87 TDP1 (1.00) TDP1ALDH1A1CA2CYP3A4TSHR
Octinoxate SCHEMBL39360 0.87 TDP1 (1.00) TDP1ALDH1A1CA2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111358713-B copolymer 宝丽化学工业有限公司 2023-09-19 CN disclosed
CN-111481469-B copolymer 宝丽化学工业有限公司 2023-09-19 CN disclosed
CN-111329788-B Copolymer 宝丽化学工业有限公司 2023-03-31 CN disclosed
CN-111329787-B Copolymer 宝丽化学工业有限公司 2023-03-31 CN disclosed
CN-111358713-A Copolymer 宝丽化学工业有限公司 2020-07-03 CN disclosed
CN-111329788-A Copolymer 宝丽化学工业有限公司 2020-06-26 CN disclosed
CN-111329787-A Copolymer 宝丽化学工业有限公司 2020-06-26 CN disclosed