SCHEMBL28020179

SCHEMBL28020179

O=C(O)c1cc(O)c2cc3ccccc3c(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CA3 P07451 1/20 0.48
SELL P14151 1/20 0.48
SELP P16109 1/20 0.48
FUT4 P22083 1/20 0.48
DPP4 P27487 1/20 0.48

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
Hydrochloric Acid SCHEMBL6977965 0.87 PRMT1 (0.54) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL163553 0.85 PRMT1 (0.56) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL27511377 0.84 PRMT1 (0.54) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL31506347 0.81 GRIN2D (0.58) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL12193745 0.79 MEN1 (0.52) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL28071758 0.79 CA12 (0.67) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL3389826 0.78 CDC25B (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL10485119 0.76 HDAC3 (0.65) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL5586107 0.76 GRIN2D (0.57) KDM4EMAPTLMNAMAPK1TDP1
SCHEMBL2002444 0.74 CYP1A2 (0.60) ALDH1A1MAPTHPGDHSD17B10SNCA

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-104726237-A Yellow-spot-removing dry cleaning agent SHANGHAI PENGGANG IND DEV CO LTD 2015-06-24 CN disclosed