SCHEMBL10451645

SCHEMBL10451645

CCCCOC(=O)CCCCCN=C=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.58
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
DNM1 Q05193 1/20 0.49
PAM P19021 2/20 0.45
NAAA Q02083 1/20 0.44
HTR2C P28335 1/20 0.44
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11438853 1.00 DGKA (0.58) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL27681316 0.95 PRSS1 (0.64) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL4106139 0.93 DGKA (0.52) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL11443788 0.92 DGKA (0.55) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL10392177 0.90 PRSS1 (0.51) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL11577455 0.90 PRSS1 (0.51) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL15976529 0.89 DGKA (0.65) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL10451052 0.88 DGKA (0.48) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL10481986 0.88 PRSS1 (0.49) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL9569406 0.87 DGKA (0.61) DGKAPRSS1PRSS2PRSS3DNM1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4871864-A Carbamoyloxythiophene fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4839381-A FUNGICIDES, PESTICIDES; RICE PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
US-4757085-A Pharmaceuticals BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
EP-0243776-A2 Carbamoyloxythiophene derivatives BAYER AG (DE) 1987-11-04 EP disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP disclosed
US-4243611-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1981-01-06 US disclosed
US-4228104-A PROSTAGLANDIN DERIVATIVES THE UPJOHN COMPANY (US) 1980-10-14 US disclosed
EP-0000023-B1 OMEGA-SUBSTITUTED PENTYL UREAS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1980-07-23 EP disclosed