SCHEMBL7214386

SCHEMBL7214386

CCCCCC(=O)c1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(Br)ccc2-c2ccc(C(=O)CCCCC)cc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.48
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ STS P08842 4/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL21551942 0.86 HSD17B3 (0.45) HSD17B3HDAC1HDAC8HTR7PTGS2
SCHEMBL7220363 0.85 HSD17B3 (0.49) HSD17B3HTR7
SCHEMBL21551963 0.81 HSD17B3 (0.42) HSD17B3PTGS2STS
SCHEMBL4198536 0.77 HSD17B3 (0.70) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL18012808 0.77 MAPT (0.38) HDAC1HDAC8HDAC3HDAC2
SCHEMBL23112845 0.77 HSD17B3 (0.55) HSD17B3HDAC1HDAC8THRASTS
SCHEMBL1793318 0.76 THRA (0.45) HSD17B3HDAC1HDAC8THRATHRB
SCHEMBL4293741 0.76 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL7907717 0.76 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL7788804 0.76 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559277-B2 Soluble poly(bis-9,9'-fluorenes) comprise identical or different structural repeating units of the formula I, admixture with at least one additional fluorophore whose absorption band overlaps the emission band (fluorescent VANTICO INC. 2003-05-06 — — US disclosed
US-20020132911-A1 Poly(9,9'-Spirobisfluorenes), their production and their use VANTICO INC. AND VANTICO A&T U S INC. (NOW KNOWN AS HUNTSMAN ADVANCED MATERIALS AMERICAS INC.) 2002-09-19 — — US disclosed
US-6380445-B1 AROMATIC RESINS VANTICO INC. 2002-04-30 — — US disclosed
US-6132641-A SOLVENT AND POLYMER OF POLY(BIS-9,9'-FLUORENE) AND FLUORESCENT DYE VANTICO, INC. (US) 2000-10-17 — — US disclosed
EP-0863931-A2 POLY(9,9'-SPIRO-BISFLUORENES), THE PRODUCTION AND USE OF SAME Ciba SC Holding AG (CH) 1998-09-16 — — EP disclosed
WO-1997020877-A2 POLY(9,9'-SPIRO-BISFLUORENES), THE PRODUCTION AND USE OF SAME CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-06-12 — — WO disclosed
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