SCHEMBL28053787

SCHEMBL28053787

CCCCCCCCCCCCCCCCCCOP(O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C.OCC(CO)(CO)CO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ESR1 P03372 2/20 0.35
S1PR1 P21453 1/20 0.34
VDR P11473 1/20 0.33
GHSR Q92847 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL2925233 0.94 THRA (0.41) THRATHRBESR1S1PR1GHSR
SCHEMBL7114551 0.94 THRA (0.41) THRATHRBESR1S1PR1GHSR
SCHEMBL19026571 0.94 THRA (0.41) THRATHRBESR1S1PR1GHSR
SCHEMBL7951307 0.94 THRA (0.41) THRATHRBESR1S1PR1GHSR
SCHEMBL7948647 0.94 THRA (0.41) THRATHRBESR1S1PR1GHSR
SCHEMBL7954050 0.94 THRA (0.41) THRATHRBESR1S1PR1GHSR
SCHEMBL2710797 0.94 THRA (0.41) THRATHRBESR1S1PR1GHSR
SCHEMBL7942236 0.94 THRA (0.41) THRATHRBESR1S1PR1GHSR
SCHEMBL28428459 0.86 ESR1 (0.47) THRATHRBESR1VDRKDM4E
SCHEMBL5073842 0.84 TRPV1 (0.37) TRPV1KDM4EGAASMN1; SMN2RECQL

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
CN-105713309-A Extruded sheet and preparation method thereof 北京天利合兴保温建材有限责任公司 2016-06-29 CN disclosed