SCHEMBL10990560

SCHEMBL10990560

CCCOP(=O)(Cc1cc(CCC)c(O)c(CCC)c1)OCCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.37
▸ HMGCR P04035 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ GABRA1 P14867 3/20 0.32
▸ GABRB2 P47870 3/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ PTPRB P23467 2/20 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
SCHEMBL4816988 0.82 LPAR3 (0.42) —
SCHEMBL10985358 0.81 CYP3A4 (0.40) —
SCHEMBL191427 0.80 EGFR (0.38) HMGCRMAOAEGFR
SCHEMBL10985155 0.77 HMGCR (0.52) HMGCRMEN1KMT2A
SCHEMBL11690877 0.76 ESR1 (0.42) MAOA
SCHEMBL10982120 0.75 ALOX5 (0.42) MAOAEGFR
SCHEMBL16736986 0.75 HMGCR (0.38) HMGCRMEN1KMT2AEGFRGABRA1
SCHEMBL10988240 0.72 ESR1 (0.49) —
SCHEMBL7157597 0.72 CYP3A4 (0.37) EGFR
SCHEMBL1023215 0.71 DHFR (0.45) DHFRHMGCRGABRA1GABRB2PTPN1

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
US-4515768-A STABILIZER AGAINST THERMAL DECOMPOSITION AIRWICK INDUSTRIES, INC. (US) 1985-05-07 — — US disclosed
EP-0036385-B1 INSECTICIDAL VAPOUR-EMITTING COMPOSITIONS ON THE BASIS OF PYRETHRINOIDS Airwick AG (CH) 1984-05-02 — — EP disclosed
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