SCHEMBL10050671

SCHEMBL10050671

CCC(C)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 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
SCHEMBL5570012 0.86 ABCB11 (0.37) CYP2C9
SCHEMBL8516775 0.83 MLYCD (0.42) TSHRKMT2AMEN1TDP1CYP2C9
SCHEMBL26660478 0.82 MLYCD (0.53) ALDH1A1TSHR
SCHEMBL4197514 0.81 ESR1 (0.43) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL54909 0.81 CYP2C9 (0.50) ALDH1A1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL537689 0.79 PTPN5 (0.38) ALDH1A1TSHRCYP2C9HDAC8HDAC6
SCHEMBL10778921 0.79 STAT3 (0.38) TSHRCYP2C9
SCHEMBL10778919 0.79 STAT3 (0.38) TSHRCYP2C9
SCHEMBL9101659 0.79 ALDH1A1 (0.53) ALDH1A1TSHRNPSR1RAB9ANPC1
SCHEMBL11298330 0.78 CA2 (0.46) ALDH1A1TSHRSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed
US-20100071828-A1 METHOD OF PRODUCING MULTILAYER STRUCTURE FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20090123642-A1 EPOXY RESIN COMPOSITION, CONDUCTIVE FILM FORMING METHOD, CONDUCTIVE PATTERN FORMING METHOD, AND MULTILAYERED WIRING BOARD MANUFACTURING METHOD FUJIFILM CORPORATION (JP) 2009-05-14 US disclosed
US-20070077498-A1 Optical recording composition, optical recording medium and production method thereof, optical recording method and optical recording apparatus FUJI PHOTO FILM CO., LTD. 2007-04-05 US disclosed