SCHEMBL862911

SCHEMBL862911

CCCCOC(=O)C(C)(CC)CO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 5/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
ESR1 P03372 2/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 5/20 0.35

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
SCHEMBL8384168 0.92 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL13829122 0.89 CYP4F2 (0.41) ALDH1A1ATMNAAATDP1CYP2D6
SCHEMBL2754861 0.88 GRM1 (0.36) ALDH1A1TSHRHCAR2ESR1TDP1
SCHEMBL12677516 0.85 CYP1A2 (0.36) ALDH1A1ESR1CYP1A2
SCHEMBL17617112 0.85 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL15295457 0.85 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL3908462 0.85 NAAA (0.52) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL1499895 0.85 NAAA (0.52) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL19367023 0.85 NAAA (0.52) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL18679878 0.85 NAAA (0.52) ALDH1A1TSHRHCAR2NAAAEPHX1

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-8142977-B2 mixture of resin which decomposes under acid under exposure to actinic radiation, acid generator FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-20080241749-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed