SCHEMBL28636696

SCHEMBL28636696

CC1(c2ccccc2C(=O)O)Nc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 3/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
HMGB1 P09429 2/20 0.39
HPGD P15428 2/20 0.39
NAPRT Q6XQN6 2/20 0.39
CA6 P23280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL28621323 0.98 ALDH1A1 (0.43) ALDH1A1ALOX15ALOX5KDM4ECA12
SCHEMBL16861395 0.72 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL17081247 0.68 MMP2 (0.40) ALDH1A1KDM4EHPGDPDK2PDK4
Phthalic Acid SCHEMBL4797005 0.66 ALDH1A1 (0.88) ALDH1A1ALOX15KDM4ECA12CA1
Phthalic Acid SCHEMBL30575217 0.66 ALDH1A1 (0.88) ALDH1A1ALOX15KDM4ECA12CA1
Phthalic Acid SCHEMBL27470430 0.66 ALDH1A1 (0.88) ALDH1A1ALOX15KDM4ECA12CA1
Phthalic Acid SCHEMBL4396104 0.66 ALDH1A1 (0.88) ALDH1A1ALOX15KDM4ECA12CA1
Phthalic Acid SCHEMBL10477086 0.66 ALDH1A1 (1.00) ALDH1A1ALOX15KDM4ECA12CA1
Phthalic Acid SCHEMBL1332278 0.66 ALDH1A1 (1.00) ALDH1A1ALOX15KDM4ECA12CA1
Phthalic Acid SCHEMBL1686043 0.66 ALDH1A1 (1.00) ALDH1A1ALOX15KDM4ECA12CA1

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-113372787-B Flame-retardant powder coating and preparation method thereof 廊坊市亚龙三惠科技有限公司 2022-10-14 CN claimed
CN-113372787-A Flame-retardant powder coating and preparation method thereof 廊坊市亚龙三惠科技股份有限公司 2021-09-10 CN claimed
CN-113372787-B Flame-retardant powder coating and preparation method thereof 廊坊市亚龙三惠科技有限公司 2022-10-14 CN disclosed
CN-113372787-A Flame-retardant powder coating and preparation method thereof 廊坊市亚龙三惠科技股份有限公司 2021-09-10 CN disclosed