SCHEMBL13908985

SCHEMBL13908985

CCCCCCc1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.54
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53
TST Q16762 1/20 0.53

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
SCHEMBL7531754 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL7530888 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL31029907 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL7534204 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL7535797 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL15656900 0.92 HSD11B1 (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL127209 0.92 ESR1 (0.61) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL11204739 0.92 ESR1 (0.61) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL6288820 0.92 ESR1 (0.61) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL7528403 0.92 ESR1 (0.61) HTR2AESR1ADRA2AADORA3TACR2

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-20090056811-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-05 US disclosed
US-20090056811-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-05 US disclosed