SCHEMBL11600698

SCHEMBL11600698

C[Sn]S[Sn]C.O=C(CCCS)Oc1ccccc1.O=C(CCCS)Oc1ccccc1.O=C(CCCS)Oc1ccccc1.O=C(CCCS)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
KMT2A Q03164 7/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38

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
SCHEMBL7631432 0.87 PRSS1 (0.55) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL7623360 0.82 PRSS1 (0.58) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL2551013 0.77 PRSS1 (0.50) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL44568 0.77 PRSS1 (0.62) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL43233 0.77 PRSS1 (0.67) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL10575704 0.76 PRSS1 (0.49) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL25297232 0.75 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL21879662 0.75 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL20564639 0.75 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL1531270 0.75 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2

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-4120845-A FOR VINYL OR VINYLIDENE HALIDE POLYMERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1978-10-17 US disclosed