SCHEMBL4257929

SCHEMBL4257929

CCCCCc1ccc(-c2cccc(C#N)c2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD11B1 P28845 3/20 0.47
ACHE P22303 1/20 0.42
PPARG P37231 2/20 0.41
AGTR1 P30556 2/20 0.41
AGTR2 P50052 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RARB P10826 5/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL4253889 0.86 HSD17B10 (0.58) TSHRHSD17B10HSD11B1ACHEPPARG
SCHEMBL6954317 0.85 HSD17B10 (0.60) TSHRHSD17B10HSD11B1ACHEPPARG
SCHEMBL10718048 0.85 HSD17B10 (0.60) TSHRHSD17B10HSD11B1ACHEPPARG
SCHEMBL6954649 0.85 HSD17B10 (0.60) TSHRHSD17B10HSD11B1ACHEPPARG
SCHEMBL4256521 0.85 HSD17B10 (0.60) TSHRHSD17B10HSD11B1ACHEPPARG
SCHEMBL10576688 0.83 HSD17B10 (0.55) TSHRHSD17B10HSD11B1ACHEPPARG
SCHEMBL2692039 0.82 PPARG (0.53) TSHRHSD17B10HSD11B1ACHEPPARG
SCHEMBL1640243 0.80 LIPG (0.41) PPARGALDH1A1HPGD
SCHEMBL29939361 0.80 HSD11B1 (0.63) TSHRHSD17B10HSD11B1ACHEALDH1A1
SCHEMBL565466 0.80 ESR2 (0.50) TSHRALDH1A1HPGDSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155496-A1 FILAMENT OR FIBRE KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2009-06-18 US disclosed
US-20070128437-A1 FILAMENT OR FIBRE KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2007-06-07 US disclosed
EP-1753899-A1 A FILAMENT OR FIBRE Koninklijke Philips Electronics N.V. (NL) 2007-02-21 EP disclosed
WO-2005113866-A1 A FILAMENT OR FIBRE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2005-12-01 WO disclosed