SCHEMBL9010987

SCHEMBL9010987

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3cccnc3)CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.70
MAPT P10636 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
CYP3A4 P08684 4/20 0.60
TP53 P04637 3/20 0.60
LMNA P02545 8/20 0.58
HSD17B10 Q99714 1/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.58
THRB P10828 1/20 0.58
STS P08842 2/20 0.57
CYP1B1 Q16678 2/20 0.56
CYP1A1 P04798 1/20 0.56
ALOX15 P16050 3/20 0.56
MAPK1 P28482 2/20 0.56
RECQL P46063 2/20 0.56
BRCA1 P38398 1/20 0.56
ADORA3 P0DMS8 3/20 0.56
ATM Q13315 3/20 0.56
NR3C1 P04150 1/20 0.56

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 0.93 MAPT (0.65) ESR1MAPTSMN1; SMN2CYP3A4TP53
SCHEMBL8722555 0.91 KMT2A (0.69) ESR1MAPTSMN1; SMN2CYP3A4TP53
SCHEMBL9011258 0.91 LMNA (0.69) ESR1MAPTSMN1; SMN2CYP3A4TP53
Estrapronicate SCHEMBL1133125 0.90 MAPT (0.75) ESR1MAPTSMN1; SMN2CYP3A4TP53
SCHEMBL11588748 0.86 ESR1 (0.53) ESR1MAPTSMN1; SMN2CYP3A4TP53
SCHEMBL3870726 0.84 ESR1 (0.69) ESR1MAPTSMN1; SMN2CYP3A4TP53
SCHEMBL2232043 0.83 ESR1 (1.00) ESR1MAPTSMN1; SMN2CYP3A4TP53
SCHEMBL12449418 0.83 ESR1 (1.00) ESR1MAPTSMN1; SMN2CYP3A4TP53
SCHEMBL3300046 0.83 LMNA (0.80) ESR1MAPTSMN1; SMN2CYP3A4TP53
SCHEMBL3299315 0.81 MAPT (0.81) ESR1MAPTSMN1; SMN2CYP3A4TP53

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 12 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-0256668-A2 Method for treating male sexual dysfunction UNIVERSITY OF FLORIDA (US) 1988-02-24 EP 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
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed