SCHEMBL7616709

SCHEMBL7616709

CC(C)(C)C(CCC(=O)O)(CC(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
FFAR1 O14842 1/20 0.43
CPT2 P23786 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HIF1A Q16665 3/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL22535911 0.87 NAALAD2 (0.46) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL7527191 0.76 LMNA (0.36) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL2203104 0.75 FFAR1 (0.65) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL9580919 0.73 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL12745311 0.72 NAALAD2 (0.46) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL27651457 0.72 NAALAD2 (0.46) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL9805711 0.71 ALDH1A1 (0.43) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL6061318 0.71 ALDH1A1 (0.48) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL27539128 0.71 HIF1A (0.68) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL10577709 0.71 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1AFFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436136-B1 Shaped bodies for use as implants in human medicine and method for the production of such shaped bodies ARTIMPLANT AB (SE) 2002-08-20 US claimed
US-6436136-B1 Shaped bodies for use as implants in human medicine and method for the production of such shaped bodies ARTIMPLANT AB (SE) 2002-08-20 US disclosed
EP-1027086-A1 SHAPED BODIES FOR USE AS IMPLANTS IN HUMAN MEDICINE AND METHOD FOR THE PRODUCTION OF SUCH SHAPED BODIES Artimplant AB (SE) 2000-08-16 EP disclosed
WO-1999022780-A1 SHAPED BODIES FOR USE AS IMPLANTS IN HUMAN MEDICINE AND METHOD FOR THE PRODUCTION OF SUCH SHAPED BODIES ARTIMPLANT AB (SE) 1999-05-14 WO disclosed