SCHEMBL4744668

SCHEMBL4744668

CC(=Cc1ccccc1C)C(N)=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
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKR1C3 P42330 1/20 0.38
SLC9A3 P48764 2/20 0.38
SLC9A1 P19634 1/20 0.38
KDM4E B2RXH2 5/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GMNN O75496 1/20 0.36
PMP22 Q01453 1/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL7449933 0.88 AKR1C3 (0.43) TSHRLMNAHTTL3MBTL1AKR1C3
SCHEMBL2439824 0.84 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL17122439 0.84 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL2439822 0.84 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL13287298 0.84 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL1681467 0.84 ALDH1A1 (0.43) ALDH1A1LMNAHPGDHTTL3MBTL1
SCHEMBL367455 0.82 AKR1C3 (0.59) ALDH1A1TSHRLMNAHTTAKR1C3
SCHEMBL3736899 0.82 AKR1C3 (0.59) ALDH1A1TSHRLMNAHTTAKR1C3
SCHEMBL2638461 0.81 L3MBTL1 (0.41) ALDH1A1LMNAHPGDHTTL3MBTL1
SCHEMBL25109162 0.81 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107615062-A Hydrogel particles with tunable optical properties and methods of using the same 弹弓生物科学公司 2018-01-19 CN claimed
WO-2000034804-A1 HIGH REFRACTIVE INDEX HYDROGEL COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-06-15 WO claimed
CN-107615062-A Hydrogel particles with tunable optical properties and methods of using the same 弹弓生物科学公司 2018-01-19 CN disclosed
WO-2008103776-A2 THERMALLY CURED UNDERLAYER FOR LITHOGRAPHIC APPLICATION FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2008-08-28 WO disclosed