SCHEMBL2738546

SCHEMBL2738546

COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CC(=O)O)CC(=O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.60
▸ HSD17B1 P14061 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.52
▸ ESR1 P03372 3/20 0.52
▸ STS P08842 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ABCC4 O15439 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ABCC1 P33527 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ PGR P06401 1/20 0.48

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
SCHEMBL218765 1.00 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218764 1.00 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738536 0.91 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216027 0.90 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216028 0.90 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL19226865 0.90 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738507 0.89 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219285 0.89 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10269454 0.89 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216878 0.89 LMNA (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
Send feedback