SCHEMBL14566262

SCHEMBL14566262

CCC(C)(C)c1cccc(-n2n3c4ccccc4n23)c1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31

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
SCHEMBL14566258 0.84 CA2 (0.53) CA2ATMGABRA1GABRB2ALDH1A1
SCHEMBL13223648 0.82 SMN1; SMN2 (0.36) CA2ALDH1A1
SCHEMBL9002299 0.82 MAPK1 (0.34) ATMALDH1A1TSHRKDM4E
SCHEMBL13652818 0.79 ESR1 (0.40) CA2ATMGABRA1GABRB2ALDH1A1
SCHEMBL12774894 0.78 TSHR (0.41) CA2ATMALDH1A1TSHRTDP1
SCHEMBL56491 0.76 CA2 (0.58) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL13652815 0.75 CYP3A4 (0.34) ATMALDH1A1TSHRKDM4ERCE1
SCHEMBL2231426 0.75 NPC1 (0.41) CA2ATMGABRA1GABRB2ALDH1A1
SCHEMBL13223584 0.72 HSPA5 (0.50) ATMALDH1A1TSHRTDP1KDM4E
SCHEMBL4493446 0.71 CA2 (0.46) CA2ATMGABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070048458-A1 Optical film, method of producing the same, optical compensatory film, polarizing film, and liquid crystal display device FUJI PHOTO FILM CO., LTD. (JP) 2007-03-01 — — US disclosed
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