SCHEMBL9820197

SCHEMBL9820197

CCC=CCCC(=O)CCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 8/20 0.46
OXER1 Q8TDS5 5/20 0.46
MAPT P10636 3/20 0.46
CYP19A1 P11511 2/20 0.46
RXRA P19793 2/20 0.46
PPARG P37231 2/20 0.46
FFAR1 O14842 1/20 0.46
ADORA3 P0DMS8 2/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
FAAH O00519 1/20 0.41
CNR1 P21554 1/20 0.41
EPHX2 P34913 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9820196 1.00 TSHR (0.50) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL15314327 0.88 TSHR (0.52) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL10691044 0.88 TSHR (0.52) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL11801982 0.86 ALDH1A1 (0.47) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL11801985 0.86 ALDH1A1 (0.47) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL12696483 0.82 ALDH1A1 (0.62) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL982589 0.82 ALDH1A1 (0.62) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL21317438 0.82 ALDH1A1 (0.62) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL982588 0.82 ALDH1A1 (0.62) TSHRLMNAKDM4EALDH1A1OXER1
SCHEMBL31720895 0.82 ALDH1A1 (0.62) TSHRLMNAKDM4EALDH1A1OXER1

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-3151372-A None JP disclosed
JP-H03151372-A PRODUCTION OF GAMMA-JASMOLACTONE TOYOTAMA KORYO KK 1991-06-27 JP disclosed