SCHEMBL9634078

SCHEMBL9634078

COc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
HSD17B1 P14061 3/20 0.66
MAPT P10636 2/20 0.66
RECQL P46063 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
AKR1C3 P42330 3/20 0.62
HSD17B10 Q99714 3/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
STS P08842 6/20 0.53
ABCC4 O15439 1/20 0.53
CYP2C9 P11712 1/20 0.53
ABCC1 P33527 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
ESR1 P03372 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ESR2 Q92731 2/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL10531128 1.00 LMNA (0.66) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8776090 0.89 AKR1C3 (0.79) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11101736 0.88 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9746964 0.87 HSD17B1 (0.66) LMNAHSD17B1MAPTRECQLSMN1; SMN2
Methoxymethane SCHEMBL10335838 0.87 MEN1 (0.70) LMNAHSD17B1MAPTRECQLSMN1; SMN2
Methoxymethane SCHEMBL9634076 0.87 MEN1 (0.70) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL15971654 0.85 MEN1 (0.74) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL29198757 0.85 MEN1 (0.74) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11692049 0.85 MEN1 (0.74) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11687810 0.85 MEN1 (0.74) LMNAHSD17B1MAPTRECQLSMN1; SMN2

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
EP-0356454-B1 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN THE UPJOHN COMPANY (US) 1992-06-17 EP disclosed
US-5001234-A Cyclic hydrocarbons with an aminoalkyl sidechain THE UPJOHN COMPANY (US) 1991-03-19 US disclosed