SCHEMBL28360415

SCHEMBL28360415

CCN(CC)c1cccc(C(=O)c2ccccc2C(=O)OCc2ccccc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
CDC25B P30305 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL18669342 0.83 TSHR (0.45) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C9
SCHEMBL473766 0.82 KMT2A (0.58) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C9
SCHEMBL31268624 0.82 KMT2A (0.58) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C9
SCHEMBL29362519 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL31707532 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL101783 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
Hydrochloric Acid SCHEMBL1276006 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL28360413 0.80 TDP1 (0.48) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL31152339 0.77 TSHR (0.56) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL28083961 0.77 MAPT (0.45) ALDH1A1L3MBTL1TDP1TSHRCYP3A4

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-112341946-A Optical silica gel tape and preparation method thereof 东莞晶邦光电科技有限公司 2021-02-09 CN disclosed
CN-110769809-A Singlet oxygen scavengers 株式会社资生堂 2020-02-07 CN disclosed