SCHEMBL28801310

SCHEMBL28801310

CCCCCCCCCCCC(O)Oc1ccccc1C(=O)C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL28801307 0.82 PPARG (0.30) PPARG
SCHEMBL2298660 0.73 ABCB1 (0.51) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL4662850 0.73 ABCB1 (0.51) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL8211136 0.71 KDM4E (0.58) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL28383676 0.68 ALDH1A1 (0.37) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL28021995 0.66 PPARG (0.43) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL29140533 0.65 MCHR1 (0.38) MEN1KMT2ALMNANR1I2CHRM2
SCHEMBL16706925 0.65 PRSS1 (0.38) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL28698773 0.65 LMNA (0.30) LMNA
SCHEMBL28677220 0.64 ACHE (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114854158-A Preparation method of micromolecule doped porphyrin polymer with excellent photoelectric property 广东石油化工学院 2022-08-05 — — CN claimed
CN-114854158-A Preparation method of micromolecule doped porphyrin polymer with excellent photoelectric property 广东石油化工学院 2022-08-05 — — CN disclosed
CN-114854158-A Preparation method of micromolecule doped porphyrin polymer with excellent photoelectric property 广东石油化工学院 2022-08-05 — — CN disclosed
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