SCHEMBL9496137

SCHEMBL9496137

COC(=O)CCCCC1=CC(O)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
HPGD P15428 1/20 0.39
PTGER2 P43116 1/20 0.38
GAA P10253 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
KAT2B Q92831 2/20 0.35
MIF P14174 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
BRD4 O60885 1/20 0.34
PPARG P37231 2/20 0.34
NR2E3 Q9Y5X4 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL9497174 1.00 TSHR (0.40) TSHRHPGDPTGER2GAATDP1
SCHEMBL2677059 0.99 HPGD (0.41) TSHRHPGDPTGER2GAATDP1
SCHEMBL2720980 0.99 HPGD (0.41) TSHRHPGDPTGER2GAATDP1
SCHEMBL11787951 0.99 HPGD (0.41) TSHRHPGDPTGER2GAATDP1
SCHEMBL4967427 0.99 HPGD (0.41) TSHRHPGDPTGER2GAATDP1
SCHEMBL9498988 0.85 CYP4F2 (0.44) TSHRGAATDP1EPHX2ALDH1A1
SCHEMBL10753712 0.85 CYP4F2 (0.44) TSHRGAATDP1EPHX2ALDH1A1
SCHEMBL11810537 0.85 CYP4F2 (0.44) TSHRGAATDP1EPHX2ALDH1A1
SCHEMBL11808317 0.85 CYP4F2 (0.44) TSHRGAATDP1EPHX2ALDH1A1
SCHEMBL9496265 0.85 CYP4F2 (0.44) TSHRGAATDP1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247620-B1 PRODUCTION OF CYCLOPENTENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 EP disclosed
US-4957867-A Production of cyclopentenones by enzyme resolution SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-18 US disclosed
EP-0247620-A2 Production of cyclopentenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-12-02 EP disclosed