SCHEMBL13898640

SCHEMBL13898640

CCC(C)(C)c1ccc(O)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL8081709 0.86 CA12 (0.56) EGFRHSP90AA1HSP90AB1CA12CA1
SCHEMBL13898693 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1TDP1MAPK1SMN1; SMN2
SCHEMBL5885401 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL9600264 0.78 EGFR (0.50) EGFRCA12CA1CA2CA7
SCHEMBL30227090 0.77 CA12 (0.65) EGFRCA12CA1CA2CA7
SCHEMBL14344780 0.77 EGFR (0.52) EGFRCA12CA1CA2CA7
SCHEMBL39335 0.77 CA12 (0.65) EGFRCA12CA1CA2CA7
SCHEMBL2218707 0.76 CSNK2A1 (0.56) EGFRCA12CA1CA2CA7
SCHEMBL14666430 0.76 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL31588004 0.75 EGFR (0.51) EGFRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498116-B2 Resist composition and pattern formation method using the same FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-7498116-B2 Resist composition and pattern formation method using the same FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-20080241750-A1 RESIST COMPOSITION AND PATTERN FORMATION METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080241750-A1 RESIST COMPOSITION AND PATTERN FORMATION METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed