SCHEMBL9782939

SCHEMBL9782939

[CH2]c1ccc(OCCCC)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
AHR P35869 1/20 0.45
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL8019643 0.95 THRA (0.52) THRATHRBTSHRLTA4HNR5A1
SCHEMBL27404637 0.86 MAPK1 (0.44) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10983336 0.85 NQO1 (0.48) AHRTSHRLMNAHTTSMN1; SMN2
SCHEMBL7850478 0.84 CYP3A4 (0.42) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19549600 0.84 NR5A1 (0.51) THRATHRBTSHRLTA4HNR5A1
SCHEMBL2094045 0.84 NR5A1 (0.51) THRATHRBTSHRLTA4HNR5A1
SCHEMBL15404359 0.84 NR5A1 (0.51) THRATHRBTSHRLTA4HNR5A1
SCHEMBL28645328 0.84 NR5A1 (0.51) THRATHRBTSHRLTA4HNR5A1
SCHEMBL8337382 0.83 CA12 (0.59) THRATHRBAHRTSHRLMNA
SCHEMBL19612285 0.81 MAPT (0.53) THRATHRBAHRTSHRLMNA

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-5032616-A Plants TRACOR, INC. 1991-07-16 US disclosed