SCHEMBL9850310

SCHEMBL9850310

COc1ccc(C(C)(C)Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 4/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
TSHR P16473 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL4442258 0.88 KDM4E (0.53) HTTMAPTUSP2KDM4EHPGD
SCHEMBL30597291 0.88 KDM4E (0.53) HTTMAPTUSP2KDM4EHPGD
SCHEMBL27641917 0.85 KDM4E (0.47) HTTMAPTUSP2KDM4EHPGD
SCHEMBL9850279 0.85 ALDH1A1 (0.53) HTTMAPTNPSR1TP53KDM4E
SCHEMBL2863787 0.78 HTT (0.69) HTTMAPTUSP2TP53KDM4E
SCHEMBL31745355 0.77 MEN1 (0.54) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL282647 0.76 KDM4E (0.58) HTTMAPTUSP2KDM4EHPGD
SCHEMBL31336377 0.76 KDM4E (0.58) HTTMAPTUSP2KDM4EHPGD
SCHEMBL3773997 0.76 CA4 (0.56) MAPTHSD17B10ALDH1A1TDP1NPC1
Bicarbonate SCHEMBL238203 0.74 KDM4E (0.56) HTTMAPTUSP2KDM4EHPGD

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
EP-0424914-A2 Recording material NEW OJI PAPER CO., LTD. (JP) 1991-05-02 EP disclosed