SCHEMBL9717859

SCHEMBL9717859

CCC(c1ccccc1)(c1ccccc1)C(OB(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
KCNN4 O15554 2/20 0.33
MAPK1 P28482 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
KMT2A Q03164 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
LMNA P02545 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KIF11 P52732 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
Choline SCHEMBL9687783 0.87 MEN1 (0.32) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL17104413 0.80 ALDH1A1 (0.39) CYP2C19HIF1AALDH1A1ALOX15KCNN4
SCHEMBL29157603 0.76 ALDH1A1 (0.42) CYP2C19HIF1AALDH1A1ALOX15KCNN4
SCHEMBL8718985 0.74 LTA4H (0.36) CYP2C19MEN1KMT2APCSK9CYP1A2
Choline SCHEMBL9687789 0.74 MEN1 (0.31) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL1059140 0.73 KCNN4 (0.48) CYP2C19HIF1AALDH1A1ALOX15KCNN4
SCHEMBL8006667 0.72 CYP2C19 (0.43) CYP2C19HIF1AALDH1A1ALOX15MAPK1
SCHEMBL8006487 0.71 LMNA (0.35) CYP2C19HIF1AALDH1A1ALOX15CHRM3
SCHEMBL3893961 0.69 ALDH1A1 (0.58) CYP2C19HIF1AALDH1A1ALOX15KCNN4
SCHEMBL7950495 0.69 CYP2C19 (0.42) CYP2C19HIF1AALDH1A1ALOX15KCNN4

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-5080994-A Processes for the preparation of particles XEROX CORPORATION (US) 1992-01-14 US claimed