SCHEMBL11577455

SCHEMBL11577455

O=C=NCCCCCC(=O)OCCCCCCOC(=O)CCCCCN=C=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
DGKA P23743 1/20 0.46
DNM1 Q05193 1/20 0.39
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PAM P19021 2/20 0.34
NPC1 O15118 1/20 0.34
EPHX2 P34913 6/20 0.33

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
SCHEMBL10392177 1.00 PRSS1 (0.51) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL10481986 0.98 PRSS1 (0.49) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL1174146 0.93 DGKA (0.46) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL10482090 0.92 DGKA (0.44) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL23130194 0.91 DGKA (0.42) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL10391622 0.91 PRSS1 (0.41) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL10451645 0.90 DGKA (0.58) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL11438853 0.90 DGKA (0.58) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL10655194 0.89 PRSS1 (0.42) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL11443788 0.88 DGKA (0.55) PRSS1PRSS2PRSS3DGKADNM1

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
US-RE29772-E IMPACT STRENGTH, CLARITY, WEATHER RESISTANCE ROHM AND HAAS COMPANY (US) 1978-09-19 US disclosed
US-3939200-A ISOCYANATE INTERMEDIATES ROHM AND HAAS COMPANY (US) 1976-02-17 US disclosed