SCHEMBL6542937

SCHEMBL6542937

C[SiH](C)Oc1c(C(=O)O)cc(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
RARB P10826 4/20 0.37
RARG P13631 4/20 0.37
RARA P10276 3/20 0.37
TNFRSF1A P19438 2/20 0.36
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
RXRA P19793 4/20 0.35
RXRB P28702 4/20 0.35
RXRG P48443 2/20 0.35
SRD5A2 P31213 1/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
WDR5 P61964 1/20 0.33
TPMT P51580 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
SCHEMBL2989103 0.76 ALDH1A1 (0.41) RXRARXRBRXRGNR1H4
Hydrochloric Acid SCHEMBL7945358 0.76 TDP1 (0.44) TDP1RARBRARGRXRARXRB
SCHEMBL3637333 0.74 TNFRSF1A (0.56) RARBRARGRARATNFRSF1AGLRA3
SCHEMBL9623299 0.71 PLAU (0.45) RARBRARGRARATNFRSF1AGLRA3
SCHEMBL9396541 0.71 TSHR (0.44) RARBRARGRARATNFRSF1AGLRA3
SCHEMBL8302162 0.71 TNFRSF1A (0.47) RARBRARGRARATNFRSF1AGLRA3
SCHEMBL7792646 0.70 TSHR (0.42) RARGTNFRSF1ARXRARXRBRXRG
SCHEMBL11659614 0.70 GLRA3 (0.47) TNFRSF1AGLRA3GLRB
SCHEMBL7924691 0.70 RXRA (0.40) RARBRARGRARARXRARXRB
SCHEMBL7792403 0.69 TNFRSF1A (0.48) TDP1RARBRARGRARATNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730242-B2 EFFICIENCY THE UNIVERSITY OF ROCHESTER 2004-05-04 US disclosed
US-20030164473-A1 Glass-forming liquid crystalline compositions and optical devices formed therefrom NATIONAL SCIENCE FOUNDATION 2003-09-04 US disclosed
US-6558572-B2 Optical device UNIVERSITY OF ROCHESTER 2003-05-06 US disclosed
US-20010036517-A1 Glass-forming liquid crystalline compositions and optical devices formed therefrom NATIONAL SCIENCE FOUNDATION 2001-11-01 US disclosed