SCHEMBL29395084

SCHEMBL29395084

CCCCCCCCOc1cc(OCCCCCCCC)cc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(OCCCCCCCC)cc(OCCCCCCCC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ PLA2G2A P14555 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TERT O14746 1/20 0.34
▸ HTR1B P28222 9/20 0.33
▸ HTR1D P28221 8/20 0.33
▸ HTR1A P08908 6/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 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
SCHEMBL28879055 0.99 STAT3 (0.49) STAT3STAT1PLA2G2ATSHRTERT
SCHEMBL14848717 0.93 STAT3 (0.47) STAT3STAT1TSHRTERTHTR1B
SCHEMBL21523873 0.91 STAT3 (0.53) STAT3STAT1PLA2G2ATERTMAPT
Hydrochloric Acid SCHEMBL27856204 0.88 STAT3 (0.50) STAT3STAT1PLA2G2ATERTMAPT
SCHEMBL15282931 0.88 STAT3 (0.44) STAT3STAT1PLA2G2ATSHRHTR1B
SCHEMBL585880 0.87 STAT3 (0.41) STAT3STAT1GABRA1GABRG2GABRB3
SCHEMBL585094 0.86 STAT3 (0.48) STAT3STAT1PLA2G2ATERTMAPT
SCHEMBL15693593 0.86 STAT3 (0.40) STAT3STAT1HTR1BHTR1DHTR1A
SCHEMBL14459908 0.86 STAT3 (0.42) STAT3STAT1TERTMAPTMAPK1
Hydrochloric Acid SCHEMBL583840 0.86 STAT3 (0.40) STAT3STAT1TERT

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-109939735-B Phase transfer catalyst and synthesis method thereof 湖南科技大学 2022-02-18 — — CN claimed
CN-109939735-B Phase transfer catalyst and synthesis method thereof 湖南科技大学 2022-02-18 — — CN disclosed
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