SCHEMBL19798199

SCHEMBL19798199

NCCCCC1CC2CCC2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
NFKB1 P19838 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
DNM1 Q05193 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
RAD52 P43351 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32

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
SCHEMBL3797356 0.84 SIGMAR1 (0.56) SIGMAR1NFKB1CA12CA1CA2
SCHEMBL24727705 0.81 SIGMAR1 (0.40) SIGMAR1
SCHEMBL24344783 0.79 SIGMAR1 (0.43) SIGMAR1NFKB1
SCHEMBL134072 0.78
SCHEMBL20090519 0.78 SIGMAR1 (0.47) SIGMAR1
SCHEMBL131735 0.76 SIGMAR1 (0.76) SIGMAR1NFKB1CA12CA1CA2
Hydrochloric Acid SCHEMBL23123533 0.76
SCHEMBL129839 0.76
SCHEMBL919889 0.74
SCHEMBL11719181 0.74 SIGMAR1 (0.46) SIGMAR1NFKB1CA12CA1CA2

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
WO-2018014855-A1 MULTISPECIFIC ANTIGEN BINDING PROTEINS AND METHODS OF USE THEREOF NANJING LEGEND BIOTECH CO., LTD. (CN) 2018-01-25 WO disclosed
WO-2018014260-A1 MULTISPECIFIC ANTIGEN BINDING PROTEINS AND METHODS OF USE THEREOF NANJING LEGEND BIOTECH CO., LTD. (CN) 2018-01-25 WO disclosed