SCHEMBL14848717

SCHEMBL14848717

CCCCCOc1cc(C)cc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(C)cc(OCCCCC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ TERT O14746 3/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP19A1 P11511 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ LMNA P02545 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
SCHEMBL29395084 0.93 STAT3 (0.50) STAT3STAT1TERTGABRA1GABRG2
SCHEMBL28879055 0.92 STAT3 (0.49) STAT3STAT1TERTGABRA1GABRG2
SCHEMBL21523873 0.86 STAT3 (0.53) STAT3STAT1TERTKDM4EMAPT
SCHEMBL14384081 0.84 STAT3 (0.43) STAT3STAT1MAPTCNR2CYP1A2
Hydrochloric Acid SCHEMBL27856204 0.83 STAT3 (0.50) STAT3STAT1TERTKDM4EMAPT
SCHEMBL15282931 0.83 STAT3 (0.44) STAT3STAT1GABRA1GABRG2GABRB3
SCHEMBL585880 0.82 STAT3 (0.41) STAT3STAT1GABRA1GABRG2GABRB3
SCHEMBL15298526 0.82 STAT3 (0.41) STAT3STAT1GABRA1GABRG2GABRB3
SCHEMBL585094 0.82 STAT3 (0.48) STAT3STAT1TERTKDM4EMAPT
SCHEMBL15693593 0.81 STAT3 (0.40) STAT3STAT1HTR1AHTR1DHTR1B

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-20130090469-A1 GREEN ZINC PORPHYRIN SENSITIZERS AND THEIR APPLICATIONS NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-04-11 — — US disclosed
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