SCHEMBL17722671

SCHEMBL17722671

CCCCOc1cccc(-c2c3nc(c(C)c4ccc([nH]4)c(-c4cccc(OCCCC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ CYP1A2 P05177 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DHODH Q02127 1/20 0.35
▸ TERT O14746 3/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ DHFR P00374 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 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
SCHEMBL6843058 0.87 CYP1A2 (0.48) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL12668290 0.85 STAT3 (0.46) STAT3STAT1CYP1A2CYP19A1CYP2C9
SCHEMBL12057410 0.85 STAT3 (0.47) STAT3STAT1CYP1A2CYP19A1CYP2C9
SCHEMBL585139 0.84 STAT3 (0.41) STAT3STAT1CYP1A2CYP19A1CYP2C9
SCHEMBL1854874 0.84 STAT3 (0.55) STAT3STAT1TERTPPARGPPARA
SCHEMBL585272 0.84 STAT3 (0.55) STAT3STAT1PPARGPPARADHFR
SCHEMBL585041 0.83 STAT3 (0.46) STAT3STAT1GCGR
SCHEMBL12057412 0.83 STAT3 (0.46) STAT3STAT1PPARGPPARATSHR
SCHEMBL1861760 0.83 STAT3 (0.52) STAT3STAT1SMN1; SMN2
Hydrochloric Acid SCHEMBL588717 0.83 STAT3 (0.41) STAT3STAT1CYP1A2CYP19A1CYP2C9

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-9326511-B2 Methods of inhibiting microbial biofilms DESTINY PHARMA LIMITED (GB) 2016-05-03 — — US disclosed
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