SCHEMBL6018141

SCHEMBL6018141

CCCCC(CC)CC1(CC(CC)CCCC)c2cc(Cl)ccc2-c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
SRD5A2 P31213 2/20 0.39
SRD5A1 P18405 1/20 0.39
TSHR P16473 3/20 0.37
RARB P10826 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
CTRC Q99895 1/20 0.34
F11 P03951 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTPN11 Q06124 1/20 0.34
TTR P02766 1/20 0.33
HTT P42858 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
SCHEMBL4855947 0.93 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRRARBLMNA
SCHEMBL31388556 0.88 ALDH1A1 (0.40) ALDH1A1MAPK1TSHRCYP3A4
SCHEMBL3814580 0.88 ALDH1A1 (0.40) ALDH1A1MAPK1TSHRCYP3A4
SCHEMBL5901384 0.86 SRD5A1 (0.39) ALDH1A1MAPK1SRD5A2SRD5A1TSHR
SCHEMBL6018281 0.81 ALDH1A1 (0.36) ALDH1A1MAPK1TSHR
SCHEMBL6018079 0.81 ALDH1A1 (0.36) ALDH1A1MAPK1TSHR
SCHEMBL6018365 0.77 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL14305778 0.76 ALDH1A1 (0.38) ALDH1A1MAPK1TSHRLMNACYP3A4
SCHEMBL6032873 0.75 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRLMNACYP3A4
SCHEMBL28944088 0.73 RARB (0.45) TSHRRARBPTPN11

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
US-7138483-B2 Monomers, conjugated polymers and electronic devices using such polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-11-21 US disclosed
US-20040192871-A1 Monomers, conjugated polymers and electronic devices using such polymers E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
WO-2004072123-A2 MONOMERS, CONJUGATED POLYMERS AND ELECTRONIC DEVICES USING SUCH POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-08-26 WO disclosed