SCHEMBL11080455

SCHEMBL11080455

CCOc1c(C(C)(C)C)cc(CP(=O)(O)OCC)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.46
NR1I2 O75469 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PPARD Q03181 1/20 0.36
HDAC1 Q13547 1/20 0.35
RXRA P19793 2/20 0.34
PPARG P37231 2/20 0.34
RARG P13631 1/20 0.34
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL10830497 0.93 HMGCR (0.42) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL1509708 0.89 HMGCR (0.42) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL7192142 0.88 PGK1 (0.44) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL496722 0.86 PGK1 (0.43) HMGCRNR1I2MEN1KMT2AGAA
Calcium SCHEMBL6227678 0.86 PGK1 (0.43) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL45804 0.84 HMGCR (0.62) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL16790520 0.84 HMGCR (0.48) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL7156553 0.83 HMGCR (0.61) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL225937 0.83 HMGCR (0.61) HMGCRNR1I2MEN1KMT2AGAA
Potassium SCHEMBL4892236 0.83 HMGCR (0.61) HMGCRNR1I2MEN1KMT2AGAA

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-4439415-A PYRETHRINOID AND ABSORPTIVE SUBSTRATE AIRWICK INDUSTRIES, INC. (US) 1984-03-27 US disclosed