SCHEMBL27464591

SCHEMBL27464591

CSc1ccccc1O.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.45
LMNA P02545 5/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 3/20 0.45
CA2 P00918 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.45
GMNN O75496 1/20 0.45
EGFR P00533 1/20 0.45
FYN P06241 1/20 0.45
CA3 P07451 1/20 0.45
CYP3A4 P08684 1/20 0.45
MMP9 P14780 1/20 0.45
NFKB1 P19838 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL29368735 0.97
SCHEMBL337809 0.97
Benzene SCHEMBL27706747 0.95 HPGD (0.45) ALOX15LMNAHPGDALDH1A1HSD17B10
Naphthalene SCHEMBL27589342 0.90 MAPK1 (0.42) ALOX15LMNAHPGDALDH1A1HSD17B10
SCHEMBL9810727 0.83 PTGS2 (0.43) ALOX15LMNAHPGDALDH1A1HSD17B10
SCHEMBL16555942 0.80
Phenol SCHEMBL11095979 0.80 PTGS2 (0.41) LMNAHPGDALDH1A1MAPTCA2
Trifluoromethanesulfonic Acid SCHEMBL10707606 0.80 ALDH1A1 (0.39) ALOX15LMNAHPGDALDH1A1HSD17B10
Methyl Carbamate SCHEMBL9418704 0.80 KMT2A (0.45) LMNAHPGDALDH1A1HSD17B10MAPT
SCHEMBL8779980 0.78 MAPK1 (0.50) ALOX15LMNAHPGDALDH1A1HSD17B10

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
CN-1139590-C Process for preparing citrat 常州市天普生物化学制药厂 2004-02-25 CN disclosed
CN-1358722-A Process for preparing citrat CHANGZHOU TIANPU BIOCHEMICAL P (CN) 2002-07-17 CN disclosed