SCHEMBL8831312

SCHEMBL8831312

O=C(O)C[C@@](O)(CCl)CCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
ACLY P53396 3/20 0.34
CPT2 P23786 2/20 0.34
TSHR P16473 2/20 0.33
CAMK2A Q9UQM7 1/20 0.33
FFAR1 O14842 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MVD P53602 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
SCHEMBL1935141 0.85 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL28652055 0.77 HMGCR (0.42) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1286781 0.77 MVD (0.49) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8831617 0.77 ALDH1A1 (0.37) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8831620 0.77 ALDH1A1 (0.37) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL27880903 0.74 HMGCR (0.44) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10941739 0.73 FFAR1 (0.46) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL880688 0.71 ALDH1A1 (0.56) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL28778994 0.70 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL27838339 0.70 FFAR1 (0.38) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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-5668171-A Halogenated mevalonate compositions and uses thereof in ras-dependent cell growth BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-09-16 US disclosed
WO-1995013058-A1 HALOGENATED MEVALONATE COMPOSITIONS AND USES THEREOF IN RAS-DEPENDENT CELL GROWTH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-05-18 WO disclosed