SCHEMBL10062765

SCHEMBL10062765

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 7/20 0.42
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.37
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 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
SCHEMBL9608586 0.77 ALDH1A1 (0.44) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL19808496 0.76 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL10029321 0.76 ALDH1A1 (0.43) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL12256298 0.76 ALDH1A1 (0.43) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL9609284 0.75 ALDH1A1 (0.40) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL12256395 0.73 ALDH1A1 (0.43) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL19042237 0.73 ALDH1A1 (0.41) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL19808495 0.73 P2RX7 (0.56) ALDH1A1TSHREPHX2CA2KMT2A
SCHEMBL9609292 0.70 ALDH1A1 (0.42) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL19042250 0.70 ALDH1A1 (0.39) 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-20120082936-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2012-04-05 US disclosed