SCHEMBL9011258

SCHEMBL9011258

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.69
KMT2A Q03164 6/20 0.69
CYP3A4 P08684 6/20 0.69
MEN1 O00255 5/20 0.69
ALOX15 P16050 3/20 0.69
MAPK1 P28482 3/20 0.69
BRCA1 P38398 1/20 0.69
RECQL P46063 1/20 0.69
MAPT P10636 6/20 0.66
TP53 P04637 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
HIF1A Q16665 2/20 0.63
ESR1 P03372 4/20 0.62
PGR P06401 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
AR P10275 2/20 0.62
PTGS1 P23219 2/20 0.62
PDE3A Q14432 2/20 0.62
POLB P06746 1/20 0.62
CHRM1 P11229 1/20 0.62

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
SCHEMBL8722468 0.91 MAPT (0.65) LMNAKMT2ACYP3A4MEN1ALOX15
SCHEMBL9010987 0.91 ESR1 (0.70) LMNAKMT2ACYP3A4MEN1ALOX15
SCHEMBL26659960 0.89 LMNA (0.76) LMNAKMT2ACYP3A4MEN1ALOX15
SCHEMBL12180360 0.89 LMNA (0.76) LMNAKMT2ACYP3A4MEN1ALOX15
SCHEMBL308659 0.89 LMNA (0.76) LMNAKMT2ACYP3A4MEN1ALOX15
SCHEMBL8722555 0.88 KMT2A (0.69) LMNAKMT2ACYP3A4MEN1ALOX15
Estrapronicate SCHEMBL1133125 0.87 MAPT (0.75) LMNAKMT2ACYP3A4MEN1ALOX15
SCHEMBL10527381 0.84 LMNA (0.49) LMNAKMT2ACYP3A4MEN1ALOX15
SCHEMBL5152447 0.84 CA2 (0.65) LMNAKMT2ACYP3A4MEN1ALOX15
SCHEMBL3871356 0.83 CA2 (0.73) LMNAKMT2ACYP3A4MEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
EP-0256668-B1 METHOD FOR TREATING MALE SEXUAL DYSFUNCTION UNIVERSITY OF FLORIDA (US) 1992-11-04 EP disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4863911-A Method for treating male sexual dysfunction UNIVERSITY OF FLORIDA (US) 1989-09-05 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed
EP-0220844-A2 Use of estrogen-dihydropyridine compounds for weight control UNIVERSITY OF FLORIDA (US) 1987-05-06 EP disclosed
US-4617298-A STEROIDS UNIVERSITY OF FLORIDA (US) 1986-10-14 US disclosed