SCHEMBL13898693

SCHEMBL13898693

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
ESR1 P03372 6/20 0.43
ESR2 Q92731 4/20 0.43
PLG P00747 2/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
KLKB1 P03952 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL5885401 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1KLKB1NPC1RAB9A
SCHEMBL8081709 0.82 CA12 (0.56) HSP90AA1HSP90AB1SMN1; SMN2MAPK1LMNA
SCHEMBL6581882 0.82 HSP90AA1 (0.60) HSP90AA1HSP90AB1PLGKLK1KLK6
SCHEMBL9700637 0.82 CNR2 (0.55)
SCHEMBL13898640 0.81 EGFR (0.49) HSP90AA1HSP90AB1ESR1ESR2PLG
SCHEMBL13609958 0.80 ESR1 (0.53) HSP90AA1HSP90AB1ESR1ESR2PLG
SCHEMBL21103925 0.80 HSP90AA1 (0.41) HSP90AA1HSP90AB1PLGKLK1KLK6
SCHEMBL472099 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1ESR1ESR2PLG
SCHEMBL56223 0.77 ALDH1A1 (0.61) ESR1ESR2SMN1; SMN2MAPK1NPC1
SCHEMBL11552788 0.77 HSP90AA1 (0.44) HSP90AA1HSP90AB1PLGKLK1KLK6

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