SCHEMBL10411482

SCHEMBL10411482

CC[C@H](C)N1C[C@H](OC)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.35
PER2 O15055 1/20 0.34
CRY2 Q49AN0 1/20 0.34
PGR P06401 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL18821137 0.77 TSHR (0.48) TSHRMAPTPER2CRY2PGR
SCHEMBL23102951 0.75 TSHR (0.47) TSHRMAPTPGRPOLB
SCHEMBL11997282 0.74 TSHR (0.60) TSHRMAPTPOLBSMN1; SMN2
SCHEMBL14145690 0.72 TSHR (0.48) TSHRMAPTPGRPOLB
SCHEMBL21881956 0.72 TSHR (0.45) TSHRMAPTPGRPOLB
SCHEMBL21881994 0.72 TSHR (0.45) TSHRMAPTPGRPOLB
SCHEMBL19338364 0.71 MAPT (0.44) TSHRMAPTPOLBSMN1; SMN2
SCHEMBL11997219 0.71 MAPT (0.72) TSHRMAPTPOLBSMN1; SMN2
SCHEMBL12741627 0.71 MAPT (0.72) TSHRMAPTPOLBSMN1; SMN2
SCHEMBL14145833 0.71 TSHR (0.60) TSHRMAPTPOLBSMN1; SMN2

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-4978744-A Synthesis of dolastatin 10 ARIZONA BOARD OF REGENTS (US) 1990-12-18 US disclosed