SCHEMBL9566680

SCHEMBL9566680

CCCCOC(=O)[C@@H]1O[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AHCY P23526 1/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL9566682 1.00 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9566677 1.00 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL14968015 0.94 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL14967824 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL14967926 0.88 PPM1B (0.47) ALDH1A1TSHRHCAR2TDP1LMNA
SCHEMBL2175986 0.85 TSHR (0.36) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL9032416 0.82 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL11187086 0.82 NAAA (0.50) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL14968005 0.81 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL12154711 0.79 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2

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
JP-5276966-A None JP disclosed
JP-H05276966-A PRODUCTION OF OPTICALLY ACTIVE ALPHA,BETA-EPOXYCARBOXYLIC ACID AND ITS ESTER OSAKA ORGANIC CHEM IND LTD 1993-10-26 JP disclosed