SCHEMBL9004894

SCHEMBL9004894

C=CCCC(=O)OC1=C(CCCCC)C(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.35
THRB P10828 2/20 0.35
CDC25A P30304 7/20 0.34
CDC25B P30305 7/20 0.34
CDC25C P30307 6/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 3/20 0.33
MGLL Q99685 2/20 0.33
THRA P10827 1/20 0.32
CYP19A1 P11511 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
SCHEMBL9004869 0.82 NAAA (0.40) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL4247967 0.78 ALDH1A1 (0.40) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL7202715 0.69 TSHR (0.48) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL27488484 0.68 ALDH1A1 (0.36) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL8428743 0.68 ALDH1A1 (0.39) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL7557773 0.68 TSHR (0.56) ALDH1A1TSHRTHRBFAAHMGLL
Acetic Acid SCHEMBL9004888 0.68 ALDH1A1 (0.42) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL28724654 0.67 ALDH1A1 (0.38) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL9561650 0.67 TSHR (0.59) ALDH1A1TSHRTHRBFAAHMGLL
SCHEMBL28795347 0.67 TSHR (0.59) ALDH1A1TSHRTHRBFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583564-B1 Process for the preparation of 3-oxo-2-pentyl-1-cyclopentene alkyl acetates FIRMENICH & CIE (CH) 1996-10-09 EP claimed
US-5302745-A Process for the preparation of alkyl 3-oxo-2-pentyl-1-cyclopentene acetates FIRMENICH S.A. (CH) 1994-04-12 US claimed
JP-6166680-A None JP disclosed
JP-H06166680-A PREPARATION OF ALKYL 3-OXO-2-PENTYL-1-CYCLOPENTENE ACETATE AND EPOXY ESTER AS STARTING MATERIAL FIRMENICH SA 1994-06-14 JP disclosed
US-5302745-A Process for the preparation of alkyl 3-oxo-2-pentyl-1-cyclopentene acetates FIRMENICH S.A. (CH) 1994-04-12 US disclosed
US-5302745-A Process for the preparation of alkyl 3-oxo-2-pentyl-1-cyclopentene acetates FIRMENICH S.A. (CH) 1994-04-12 US disclosed
US-5302745-A Process for the preparation of alkyl 3-oxo-2-pentyl-1-cyclopentene acetates FIRMENICH S.A. (CH) 1994-04-12 US disclosed