SCHEMBL3433869

SCHEMBL3433869

CCC(C)(C)c1cccc(C(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.49
CYP2C9 P11712 1/20 0.49
ACHE P22303 3/20 0.47
BRAF P15056 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAOB P27338 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CES2 O00748 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL120251 0.86 NPC1 (0.64) KIF11NPC1RAB9APOLBCYP2C9
SCHEMBL1696789 0.84 PARP1 (0.50) KIF11NPC1RAB9APOLBCYP2C9
SCHEMBL1787753 0.81 LOXL2 (0.51) NPC1RAB9APOLBCYP2C9ACHE
SCHEMBL19254599 0.81 HDAC8 (0.57) POLBBRAFSMN1; SMN2ALDH1A1
SCHEMBL27886595 0.81 NPC1 (0.49) NPC1RAB9APOLBCYP2C9ACHE
SCHEMBL18769406 0.81 CA5A (0.41) KIF11NPC1RAB9APOLBCYP2C9
SCHEMBL309330 0.81 ACHE (0.65) KIF11ACHEALDH1A1CES2
SCHEMBL1788857 0.80 CYP4F2 (0.51) NPC1RAB9APOLBCYP2C9SMN1; SMN2
SCHEMBL13227566 0.80 AKT1 (0.46) NPC1RAB9APOLBCYP2C9ACHE
SCHEMBL13969558 0.80 HPGD (0.59) NPC1RAB9APOLBCYP2C9LMNA

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
US-20120094235-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-04-19 US disclosed
US-7441883-B2 Production process of inkjet ink composition and inkjet composition FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed