SCHEMBL11238883

SCHEMBL11238883

CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](OC(=O)/C=C\C(=O)O)[C@@H]2NC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
THRB P10828 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.48
CYP3A4 P08684 3/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
ESR1 P03372 6/20 0.47
LMNA P02545 5/20 0.47
ADORA3 P0DMS8 4/20 0.47
ATM Q13315 3/20 0.47
PGR P06401 2/20 0.47
AR P10275 2/20 0.47
CHRM1 P11229 2/20 0.47
TBXA2R P21731 2/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL11229072 0.91 SMN1; SMN2 (0.59) MAPTKMT2AMEN1THRBSMN1; SMN2
SCHEMBL11242845 0.90 SMN1; SMN2 (0.49) MAPTKMT2AMEN1THRBSMN1; SMN2
Maleic Acid SCHEMBL11238886 0.90 MAPT (0.61) MAPTKMT2AMEN1THRBSMN1; SMN2
SCHEMBL11207655 0.84 MAPT (0.66) MAPTKMT2AMEN1THRBSMN1; SMN2
SCHEMBL10349423 0.81 MAPT (0.74) MAPTKMT2AMEN1THRBSMN1; SMN2
Maleic Acid SCHEMBL11229073 0.81 ESR1 (0.63) MAPTKMT2AMEN1THRBSMN1; SMN2
SCHEMBL14360847 0.80 MAPT (0.73) MAPTKMT2AMEN1THRBSMN1; SMN2
SCHEMBL5184945 0.80 MAPT (0.73) MAPTKMT2AMEN1THRBSMN1; SMN2
SCHEMBL32662317 0.80 MAPT (0.73) MAPTKMT2AMEN1THRBSMN1; SMN2
Maleic Acid SCHEMBL11242848 0.79 ESR1 (0.52) MAPTKMT2AMEN1THRBSMN1; 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-4330539-A Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof AKZO NV (NL) 1982-05-18 US claimed