SCHEMBL28895411

SCHEMBL28895411

CC(C)(C)CC1CC1.CC(O)C(C)(C(=O)O)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPT P10636 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL649493 0.78 TSHR (0.42) MAPT
SCHEMBL9917284 0.71 THRA (0.60) THRATHRBKMT2A
SCHEMBL15706291 0.71 THRA (0.50) THRATHRBMAPT
SCHEMBL7155825 0.71
SCHEMBL12363910 0.71 THRA (0.55) THRATHRBMAPTKMT2A
SCHEMBL24054646 0.70 THRA (0.44) THRATHRBCHRM2CHRM1CHRM3
SCHEMBL16370142 0.70 THRA (0.44) THRATHRBCHRM2CHRM1CHRM3
SCHEMBL16369954 0.70 THRA (0.44) THRATHRBCHRM2CHRM1CHRM3
SCHEMBL16147788 0.69 THRA (0.42) THRATHRB
SCHEMBL20801563 0.67 THRA (0.60) THRATHRB

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-111433326-A Composition and flame-retardant resin composition 株式会社艾迪科 2020-07-17 CN disclosed