SCHEMBL29326171

SCHEMBL29326171

c1ccc(CCP(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
IDO1 P14902 3/20 0.43
AGXT P21549 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
NPC1 O15118 1/20 0.40
KDM1A O60341 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL10669039 0.81 TP53 (0.41) TSHRIDO1HTR1AALDH1A1HPGD
SCHEMBL20776659 0.79 TSHR (0.43) TSHRIDO1AGXTHTR1ADRD2
SCHEMBL9637850 0.76 TSHR (0.48) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL11069320 0.75 TSHR (0.39) TSHRIDO1AGXTHTR1AALDH1A1
SCHEMBL7609825 0.75 CETP (0.47) TSHRALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL21469853 0.74 DRD2 (0.43) IDO1DRD2ALDH1A1HPGDALOX15
SCHEMBL194803 0.74 TSHR (0.57) TSHRIDO1AGXTALDH1A1SMN1; SMN2
SCHEMBL1117737 0.72 TSHR (0.55) TSHRIDO1AGXTALDH1A1SMN1; SMN2
SCHEMBL11687302 0.72 TSHR (0.55) TSHRIDO1AGXTALDH1A1SMN1; SMN2
SCHEMBL28754128 0.71 TSHR (0.43) TSHRIDO1AGXTALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed