SCHEMBL8993412

SCHEMBL8993412

C=CC(=O)OC(C)OC(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 6/20 0.42
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 6/20 0.42
TDP1 Q9NUW8 2/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
HMGB1 P09429 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
KMT2A Q03164 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
SCHEMBL301790 0.91 TSHR (0.43) LMNATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL20481917 0.85 TSHR (0.45) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL17924927 0.85 TSHR (0.39) TSHRHSD17B10ALDH1A1KDM4ETDP1
SCHEMBL301791 0.85 ALDH1A1 (0.48) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL6872719 0.81 AKR1C3 (0.44) LMNATSHRALDH1A1KMT2AL3MBTL1
SCHEMBL5450046 0.81 ADRB2 (0.44) HPGDALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL6536389 0.81 ALDH1A1 (0.45) LMNAHPGDHSD17B10ALDH1A1KDM4E
SCHEMBL28071258 0.80 TSHR (0.53) TSHRHSD17B10ALDH1A1TDP1CA2
SCHEMBL6555122 0.80 LMNA (0.53) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL434162 0.80 TSHR (0.49) LMNATSHRALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104203209-B Hair cosmetic composition 株式会社高丝 2017-06-16 CN disclosed
EP-0724503-A1 ABRASIVE ARTICLES INCORPORATING ADDITION POLYMERIZABLE RESINS AND REACTIVE DILUENTS, AND METHODS OF MAKING SAID ABRASIVE ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-08-07 EP disclosed
WO-1995011774-A1 ABRASIVE ARTICLES INCORPORATING ADDITION POLYMERIZABLE RESINS AND REACTIVE DILUENTS, AND METHODS OF MAKING SAID ABRASIVE ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-04 WO disclosed