SCHEMBL6945816

SCHEMBL6945816

CC(C)C[C@@H](C(=O)NN(C[C@@H](C)CO)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.59
TGFBR1 P36897 1/20 0.31
CTSC P53634 1/20 0.31
P2RX3 P56373 1/20 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
SCHEMBL6942715 1.00 ADAM17 (0.59) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6948118 0.94 ADAM17 (0.59) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6943561 0.94 ADAM17 (0.67) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6945556 0.91 ADAM17 (0.58) ADAM17TGFBR1P2RX3
SCHEMBL6946725 0.91 ADAM17 (0.56) ADAM17TGFBR1P2RX3
SCHEMBL6947109 0.91 ADAM17 (0.57) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6939910 0.91 ADAM17 (0.57) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6939914 0.91 ADAM17 (0.57) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6945793 0.91 ADAM17 (0.55) ADAM17TGFBR1P2RX3
SCHEMBL6942461 0.90 ADAM17 (0.56) ADAM17TGFBR1P2RX3

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
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed