SCHEMBL10339604

SCHEMBL10339604

CC(C)(C)c1c(C(C)(C)C)c(C(C)(C)C)c2ccccc2c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
PDE10A Q9Y233 2/20 0.40
EGFR P00533 1/20 0.38
CYP2D6 P10635 1/20 0.37
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL19196140 0.81 GLRA3 (0.47) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL19203146 0.78 HSD17B10 (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL19203147 0.78 GLRA3 (0.47) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL28337231 0.76 GLRA3 (0.44) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL28133115 0.76 LMNA (0.40) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3369490 0.74 KDM4E (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL14989283 0.74 GLRA3 (0.43) MEN1KMT2AALDH1A1CYP1A2GLRA3
SCHEMBL70004 0.73 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL29599456 0.73 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD
Benzene SCHEMBL10558251 0.73 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD

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
JP-2231437-A None JP disclosed
JP-H02231437-A ANTHRACENE DERIVATIVE MITSUBISHI KASEI CORP 1990-09-13 JP disclosed