SCHEMBL9511515

SCHEMBL9511515

COC(=O)CCCC1CCC(CCCC(=O)OC)C1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 3/20 0.41
EPHX2 P34913 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
GLA P06280 1/20 0.40
PPARG P37231 2/20 0.39
NR2E3 Q9Y5X4 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGER2 P43116 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER3 P43115 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
SCHEMBL10848706 0.82 TSHR (0.40) TSHRTDP1EPHX2SIRT2MAPT
SCHEMBL22754195 0.81 TSHR (0.43) TSHRTDP1EPHX2SIRT2MAPT
SCHEMBL8829497 0.80 NPC1 (0.48) TSHRTDP1EPHX2PPARGNR2E3
SCHEMBL9509126 0.76 BRD4 (0.44) TSHREPHX2L3MBTL1GAAKMT2A
SCHEMBL4942582 0.76 TSHR (0.58) TSHRTDP1EPHX2GLAMAPT
SCHEMBL11765051 0.75 NPC1 (0.47) TSHRTDP1EPHX2PPARGNR2E3
SCHEMBL11761994 0.74 NPC1 (0.46) TSHRTDP1EPHX2PPARGNR2E3
SCHEMBL11764654 0.74 NPC1 (0.46) TSHRTDP1EPHX2PPARGNR2E3
SCHEMBL11762812 0.74 NPC1 (0.46) TSHRTDP1EPHX2PPARGNR2E3
SCHEMBL3238314 0.74 NPC1 (0.46) TSHRTDP1EPHX2PPARGNR2E3

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-0398099-B1 PROCESS FOR THE PRODUCTION OF CYCLOPENTANONES BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
US-5166447-A Preparation of cyclopentanones BASF AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
EP-0398099-A1 Process for the production of cyclopentanones BASF Aktiengesellschaft (DE) 1990-11-22 EP disclosed