SCHEMBL8501688

SCHEMBL8501688

CCCCCCCCCCc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.61
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 2/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL8466652 1.00 HTR2A (0.61) HTR2AALDH1A1CYP3A4ESR1ADRA2A
SCHEMBL8356640 1.00 HTR2A (0.61) HTR2AALDH1A1CYP3A4ESR1ADRA2A
SCHEMBL8504735 1.00 HTR2A (0.61) HTR2AALDH1A1CYP3A4ESR1ADRA2A
SCHEMBL8500850 1.00 HTR2A (0.61) HTR2AALDH1A1CYP3A4ESR1ADRA2A
SCHEMBL8467532 1.00 HTR2A (0.61) HTR2AALDH1A1CYP3A4ESR1ADRA2A
SCHEMBL8467844 1.00 HTR2A (0.61) HTR2AALDH1A1CYP3A4ESR1ADRA2A
SCHEMBL8468968 1.00 HTR2A (0.61) HTR2AALDH1A1CYP3A4ESR1ADRA2A
SCHEMBL8468719 0.98 HTR2A (0.58) HTR2AALDH1A1CYP3A4ESR1ADRA2A
SCHEMBL6558445 0.93 ALDH1A1 (0.54) HTR2AALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL9505414 0.91 ESR1 (0.61) HTR2AALDH1A1CYP3A4ESR1ADRA2A

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-5928733-A Active-matrix liquid crystal display HITACHI, LTD. (JP) 1999-07-27 US disclosed
US-5798810-A RUBBING, IRRADIATING AND SEALING CHISSO CORPORATION (JP) 1998-08-25 US disclosed