SCHEMBL3870701

SCHEMBL3870701

CC(=CC1OC(=O)CC1(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
RXRA P19793 1/20 0.31
GABRB3 P28472 1/20 0.31
RXRB P28702 1/20 0.31
GABRB2 P47870 1/20 0.31
RXRG P48443 1/20 0.31
LANCL2 Q9NS86 1/20 0.31
SLC22A12 Q96S37 2/20 0.30

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
SCHEMBL701380 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11616632 0.79
SCHEMBL11616634 0.79
SCHEMBL10708826 0.77 SMN1; SMN2 (0.31)
SCHEMBL11064009 0.72
SCHEMBL544336 0.68 CA1 (0.41) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL701301 0.68 ALDH1A1 (0.40) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL701978 0.68 ALDH1A1 (0.31) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL3874762 0.68 PTPN1 (0.32) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL701236 0.66 KDM4E (0.38) ALDH1A1GABRA1TSHRGABRG2RXRA

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-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed