SCHEMBL8950966

SCHEMBL8950966

C=CCCCCCCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCCCCCCCC=C)CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
KMT2A Q03164 7/20 0.70
MEN1 O00255 5/20 0.70
THRB P10828 1/20 0.70
LMNA P02545 8/20 0.64
CYP3A4 P08684 6/20 0.64
ESR1 P03372 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
ADORA3 P0DMS8 5/20 0.64
TP53 P04637 4/20 0.64
PGR P06401 3/20 0.64
AR P10275 3/20 0.64
ALOX15 P16050 3/20 0.64
ATM Q13315 3/20 0.64
PTGS1 P23219 2/20 0.64
PDE3A Q14432 2/20 0.64
CHRM1 P11229 2/20 0.64
TBXA2R P21731 2/20 0.64
POLB P06746 1/20 0.64
USP2 O75604 1/20 0.64

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
SCHEMBL32661972 0.91 MAPT (0.71) MAPTKMT2AMEN1THRBLMNA
SCHEMBL4265262 0.90 MAPT (0.77) MAPTKMT2AMEN1THRBLMNA
SCHEMBL32662764 0.90 MAPT (0.77) MAPTKMT2AMEN1THRBLMNA
SCHEMBL32662630 0.90 MAPT (0.77) MAPTKMT2AMEN1THRBLMNA
SCHEMBL31648759 0.90 MAPT (0.77) MAPTKMT2AMEN1THRBLMNA
SCHEMBL8506439 0.90 MAPT (0.77) MAPTKMT2AMEN1THRBLMNA
SCHEMBL8465006 0.89 MAPT (0.79) MAPTKMT2AMEN1THRBLMNA
SCHEMBL146888 0.88 LMNA (0.82) MAPTKMT2AMEN1THRBLMNA
SCHEMBL9404737 0.86 MAPT (0.83) MAPTKMT2AMEN1THRBLMNA
SCHEMBL24102647 0.86 LMNA (0.81) MAPTKMT2AMEN1THRBLMNA

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-5496813-A STEROL ESTERS OF RETINOIC ACID FOR TREATMENT OF TUMORS MARIGEN S.A. (CH) 1996-03-05 US disclosed