SCHEMBL9608586

SCHEMBL9608586

O=S(=O)(O)CCS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 10/20 0.44
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 2/20 0.36

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
SCHEMBL9608597 0.84 EPHX2 (0.47) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL10062765 0.77 ALDH1A1 (0.44) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL28305910 0.75 GRIN2D (0.41) ALDH1A1TSHREPHX2HSD17B10
SCHEMBL918262 0.75 MEN1 (0.51) ALDH1A1TSHREPHX2HSD17B10KMT2A
SCHEMBL9609284 0.74 ALDH1A1 (0.40) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL1010509 0.74 EPHX2 (0.47) ALDH1A1TSHREPHX2CA2KMT2A
SCHEMBL11991285 0.73 GRIN2D (0.42) ALDH1A1TSHREPHX2HSD17B10
SCHEMBL19808496 0.72 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL21397003 0.71 GRIN2D (0.50) ALDH1A1TSHREPHX2CA2KMT2A
SCHEMBL9609292 0.70 ALDH1A1 (0.42) ALDH1A1TSHREPHX2HSD17B10CA2

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-20120135348-A1 ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2012-05-31 US disclosed