SCHEMBL3689969

SCHEMBL3689969

C#Cc1ccc2cc3c(-c4ccc(CCCCC)cc4)c4cc5ccccc5cc4c(-c4ccc(CCCCC)cc4)c3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD11B1 P28845 2/20 0.39
BCHE P06276 2/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
RARB P10826 5/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RARA P10276 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3728181 0.84 CTSV (0.49) TSHRHSD17B10HSD11B1CTSVCTSL
SCHEMBL3724388 0.84 CTSV (0.49) TSHRHSD17B10HSD11B1CTSVCTSL
SCHEMBL3725156 0.81 HSD11B1 (0.47) TSHRHSD11B1BCHECTSVCTSL
SCHEMBL7913461 0.79 DHODH (0.48) TSHRHSD11B1BCHECTSVCTSL
SCHEMBL29200019 0.79 HSD17B10 (0.47) TSHRHSD17B10THRATHRBALDH1A1
SCHEMBL9710359 0.79 HSD17B10 (0.47) TSHRHSD17B10THRATHRBALDH1A1
SCHEMBL9710353 0.79 HSD17B10 (0.47) TSHRHSD17B10THRATHRBALDH1A1
SCHEMBL9710350 0.79 HSD17B10 (0.47) TSHRHSD17B10THRATHRBALDH1A1
SCHEMBL14373164 0.77 HSD11B1 (0.50) TSHRHSD17B10HSD11B1BCHECTSV
SCHEMBL6059665 0.76 CTSV (0.49) TSHRHSD17B10HSD11B1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687830-B1 ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS MERCK PATENT GMBH (DE) 2010-07-28 EP disclosed
EP-1808866-A1 Organic semiconducting layer formulations comprising polyacenes and organic binder polymers Merck Patent GmbH (DE) 2007-07-18 EP disclosed
EP-1783781-A2 ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS Merck Patent GmbH (DE) 2007-05-09 EP disclosed