SCHEMBL6905040

SCHEMBL6905040

CCCCCCCCCCCCCCCCCCOP(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ESR1 P03372 2/20 0.37
GHSR Q92847 1/20 0.36
KDM4E B2RXH2 3/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
VDR P11473 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL97771 1.00 THRA (0.40) THRATHRBESR1GHSRKDM4E
SCHEMBL466235 1.00 THRA (0.40) THRATHRBESR1GHSRKDM4E
SCHEMBL2183919 0.97 THRA (0.40) THRATHRBESR1GHSRKDM4E
SCHEMBL11213999 0.97 THRA (0.40) THRATHRBESR1GHSRKDM4E
SCHEMBL9240797 0.92 KDM4E (0.35) THRATHRBESR1GHSRKDM4E
SCHEMBL11265850 0.92 THRA (0.36) THRATHRBESR1GHSRSMN1; SMN2
SCHEMBL12486318 0.91 ESR1 (0.37) THRATHRBESR1GHSRKDM4E
SCHEMBL12485303 0.91 ESR1 (0.37) THRATHRBESR1GHSRKDM4E
SCHEMBL10604029 0.91 THRA (0.35) THRATHRBESR1GHSRKDM4E
SCHEMBL4965655 0.90 THRA (0.40) THRATHRBESR1GHSRKDM4E

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
EP-0926189-B1 A macromolecular material composition and a modifier for macromolecular material HITACHI CHEMICAL CO LTD (JP) 2004-04-14 EP disclosed
EP-0926189-A2 A macromolecular material composition and a modifier for macromolecular material HITACHI CHEMICAL CO., LTD. (JP) 1999-06-30 EP disclosed