SCHEMBL7320294

SCHEMBL7320294

O=C(O)CCOc1ccc2c(c1)CCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
RXRB P28702 4/20 0.66
RXRA P19793 3/20 0.66
RXRG P48443 3/20 0.66
KDM4E B2RXH2 2/20 0.62
POLB P06746 2/20 0.62
PPARG P37231 3/20 0.59
PPARD Q03181 3/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
GFER P55789 1/20 0.53
PAX8 Q06710 1/20 0.53
KLF5 Q13887 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
PPARA Q07869 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2729878 0.83 TSHR (0.93) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL6527201 0.80 TSHR (1.00) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL9720056 0.79 PPARG (0.64) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL21052066 0.77 MAOB (0.67)
SCHEMBL13254657 0.77 BRD4 (0.60) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL21052051 0.77 MAOB (0.60)
SCHEMBL21052060 0.77 MAOB (0.60)
SCHEMBL30778174 0.76 TSHR (0.60) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL23222346 0.76 SMN1; SMN2 (0.56) TSHRALOX15HSD17B10KDM4EPOLB
SCHEMBL3150833 0.76 SMN1; SMN2 (0.56) TSHRALOX15HSD17B10RXRBRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5733908-A USEFUL IN THE TREATMENT OF PARKINSON'S DISEASE AND SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1998-03-31 US disclosed