SCHEMBL29415451

SCHEMBL29415451

CC(C)(C)c1cc(C(=O)O)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(C(=O)O)c1O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
RXRA P19793 6/20 0.37
RXRG P48443 2/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 1/20 0.33
GRIN2C Q14957 1/20 0.32
NOTUM Q6P988 1/20 0.32
SRD5A2 P31213 1/20 0.32
AKR1C3 P42330 1/20 0.31
SERPINE1 P05121 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL504056 1.00 RXRB (0.39) RXRBTDP1GABBR2GABBR1RXRA
SCHEMBL1977392 0.92 RXRB (0.34) RXRBTDP1GABBR2GABBR1RXRA
SCHEMBL4024339 0.83 GABBR2 (0.36) GABBR2GABBR1RXRAKDM4EALDH1A1
SCHEMBL8448354 0.78 TPMT (0.36) RXRBTDP1RXRARXRGAKR1C2
Hydrochloric Acid SCHEMBL7199340 0.77 TPMT (0.35) RXRBTDP1RXRARXRGAKR1C2
Hydrochloric Acid SCHEMBL5827032 0.77 TPMT (0.35) RXRBTDP1RXRARXRGAKR1C2
SCHEMBL547487 0.76 ALDH1A1 (0.39) TDP1GABBR2GABBR1KDM4EMEN1
SCHEMBL12587964 0.76 GABBR2 (0.32) GABBR2GABBR1KDM4EALDH1A1HPGD
SCHEMBL811190 0.75 POLB (0.39) GABBR2GABBR1
SCHEMBL12587965 0.75 GABBR2 (0.31) GABBR2GABBR1RXRAKDM4EMEN1

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-116203119-B MALDI-MS matrix for detecting small molecular compounds and detection method 生物岛实验室 2024-02-06 CN claimed
CN-116203119-A MALDI-MS matrix for detecting small molecular compounds and detection method 生物岛实验室 2023-06-02 CN claimed
CN-116203119-B MALDI-MS matrix for detecting small molecular compounds and detection method 生物岛实验室 2024-02-06 CN disclosed
EP-4204100-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE L'OREAL (FR) 2023-07-05 EP disclosed
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN disclosed
CN-116203119-A MALDI-MS matrix for detecting small molecular compounds and detection method 生物岛实验室 2023-06-02 CN disclosed
WO-2022047081-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE HENRY DEREK (US) 2022-03-03 WO disclosed