SCHEMBL13845374

SCHEMBL13845374

CCCCCCc1csc(-c2ccc(-c3ccc(-c4ccc(-c5cc(CCCCCC)cs5)s4)c4nsnc34)s2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ TACR2 P21452 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HSPD1 P10809 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HSPE1 P61604 1/20 0.32

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
SCHEMBL12587649 0.96 GPR3 (0.34) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL852605 0.91 GPR3 (0.37) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL14948591 0.91 GPR3 (0.37) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL2608123 0.91 GPR3 (0.37) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL14881251 0.85 PTGS2 (0.42) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10046697 0.85 PTGS2 (0.42) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1492468 0.85 PTGS2 (0.42) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL19489976 0.85 RARB (0.35) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL18665481 0.84 PTGS2 (0.30) RARBPTGS2ESR1ADRA2AADORA3
SCHEMBL12587652 0.84 GPR3 (0.33) GPR3RARBPTGS2ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534503-B2 Monomer for use in preparation of a polymer to be used in optical devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2009-05-19 — — US disclosed
US-7534503-B2 Monomer for use in preparation of a polymer to be used in optical devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2009-05-19 — — US disclosed
Send feedback