SCHEMBL20550358

SCHEMBL20550358

CC(C)Cc1occ(CO)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 6/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
AKR1C2 P52895 2/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
NR1I3 Q14994 1/20 0.34

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
SCHEMBL17867056 0.86 MAPT (0.32) ALDH1A1GAAACE2MAPT
SCHEMBL16432984 0.84 ACE2 (0.31) ALDH1A1PTGS1PTGS2MAPK1ACE2
SCHEMBL16433085 0.78 PTPN1 (0.40) CYP2C9MAPT
SCHEMBL17866890 0.75 BID (0.38) ALDH1A1RARBHPGD
SCHEMBL16432884 0.75 MAOB (0.31)
SCHEMBL17867211 0.74 KAT8 (0.43) RARBMAPT
SCHEMBL17867158 0.73 SMN1; SMN2 (0.37) ALDH1A1TSHRPOLBCYP2C9HPGD
SCHEMBL9957129 0.71 POLB (0.39) ALDH1A1TSHRPOLBHPGDSMN1; SMN2
SCHEMBL6904637 0.70 GAA (0.49) ALDH1A1GAATSHRPOLBLMNA
SCHEMBL15592326 0.67 TP53 (0.50) ALDH1A1GAATSHRPOLBLMNA

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-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed