SCHEMBL28665813

SCHEMBL28665813

O=[V]OC(=O)c1ccccc1C(=O)O[V]=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CFTR P13569 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SRC P12931 1/20 0.37
▸ F2 P00734 1/20 0.37

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
SCHEMBL28389217 0.78 LMNA (0.58) TSHRALDH1A1TDP1LMNATP53
SCHEMBL28464699 0.71 TDP1 (0.43) TSHRALDH1A1NPC1TDP1L3MBTL1
SCHEMBL29709946 0.70 TSHR (0.52) CYP3A4TSHRALDH1A1NPC1ALOX15
SCHEMBL6936 0.70 TSHR (0.52) CYP3A4TSHRALDH1A1NPC1ALOX15
SCHEMBL20839532 0.70 CES2 (0.55) TSHRALDH1A1NPC1ALOX15L3MBTL1
SCHEMBL29051651 0.70 CYP1A2 (0.52) CYP3A4TSHRALDH1A1NPC1ALOX15
SCHEMBL8676471 0.69 TSHR (0.50) CYP3A4TSHRALDH1A1NPC1ALOX15
SCHEMBL622120 0.69 TSHR (0.50) CYP3A4TSHRALDH1A1NPC1ALOX15
SCHEMBL11879146 0.69 TSHR (0.50) CYP3A4TSHRALDH1A1NPC1ALOX15
Dimethyl Phthalate SCHEMBL790124 0.69 TSHR (0.74) TSHRALDH1A1ALOX15LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631136-A Primer and kit of primer and dental material 凯滕巴赫股份两合公司 2021-11-09 — — CN disclosed
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