SCHEMBL19267453

SCHEMBL19267453

CCC(C)C(=O)OCCCOCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(C(=O)Oc5ccc(C(=O)Oc6ccc(N=Nc7ccc(N(CC)CC)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 8/20 0.37
▸ ACR P10323 3/20 0.37
▸ F2 P00734 3/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ KLK1 P06870 4/20 0.35
▸ TMPRSS2 O15393 2/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ HPN P05981 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ HGFAC Q04756 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SLC47A2 Q86VL8 1/20 0.35
▸ SLC47A1 Q96FL8 1/20 0.35
▸ TBXAS1 P24557 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34

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
SCHEMBL19267457 1.00 PRSS1 (0.37) PRSS1ACRF2PRSS2PRSS3
SCHEMBL19267456 0.91 MAPT (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17131749 0.88 PRSS1 (0.47) PRSS1ACRMEN1KMT2AMAPT
SCHEMBL17694530 0.88 PRSS1 (0.47) PRSS1ACRMEN1KMT2AMAPT
SCHEMBL17694528 0.88 PRSS1 (0.47) PRSS1ACRMEN1KMT2AMAPT
SCHEMBL19267460 0.87 PRSS1 (0.40) PRSS1ACRF2PRSS2PRSS3
SCHEMBL26033899 0.87 PRSS1 (0.47) PRSS1ACRMEN1KMT2AMAPT
SCHEMBL19930168 0.79 PRSS1 (0.52) PRSS1ACRKCNH2MEN1KMT2A
SCHEMBL17694531 0.79 PPARA (0.40) MEN1KMT2AMAPTNOX1GSK3B
SCHEMBL18254165 0.79 PRSS1 (0.49) PRSS1ACRF2PRSS2PRSS3

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-20170242175-A1 RETARDATION FILM, COMPOSITION, METHOD OF MANUFACTURING RETARDATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-08-24 — — US disclosed
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