SCHEMBL28408311

SCHEMBL28408311

CCCCCCC(CCCC)COc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 13/20 0.36
▸ PLA2G10 O15496 5/20 0.34
▸ PLA2G1B P04054 4/20 0.34
▸ PLA2G5 P39877 4/20 0.34
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ XDH P47989 1/20 0.31
▸ CTSV O60911 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SLC2A1 P11166 1/20 0.30
▸ ATP4A P20648 1/20 0.30

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
SCHEMBL28436254 0.87 HPGD (0.41) PLA2G2ALMNAPOLBHPGDRAB9A
SCHEMBL28493239 0.87 HPGD (0.41) PLA2G2ALMNAPOLBHPGDRAB9A
SCHEMBL28411429 0.86 S1PR4 (0.34) —
SCHEMBL28403635 0.85 PLA2G2A (0.34) PLA2G2APLA2G10PLA2G1BPLA2G5LMNA
SCHEMBL27914523 0.81 ALDH1A1 (0.41) LMNAPOLBHPGDRAB9ASMN1; SMN2
SCHEMBL28839762 0.78 PLA2G2A (0.36) PLA2G2ALMNAPOLBHPGDRAB9A
SCHEMBL28148244 0.77 STAT3 (0.39) CYP3A4CYP2D6CYP2C9
SCHEMBL27894219 0.75 GSTP1 (0.48) XDH
SCHEMBL28202581 0.75 STAT3 (0.41) LMNAHPGDRAB9ASMN1; SMN2CYP3A4
SCHEMBL9590022 0.75 NPC1 (0.40) LMNAPOLBHPGDRAB9ASMN1; SMN2

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
CN-111187271-B Porphyrin organic small molecule receptor material, preparation method thereof and application thereof in organic solar cell 华南理工大学 2021-05-14 — — CN disclosed
CN-111187271-A Porphyrin organic small molecule receptor material, preparation method thereof and application thereof in organic solar cell 华南理工大学 2020-05-22 — — CN disclosed
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