SCHEMBL8722684

SCHEMBL8722684

CC(C)(c1ccc(O)cc1)c1ccc(N2C(=O)CCC23CCC(=O)N3c2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ESR2 Q92731 5/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
AR P10275 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR6 P50406 1/20 0.47
ESRRG P62508 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
MMP13 P45452 5/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL515166 0.87 KMT2A (0.48) ESR1ESR2HPGDTSHRHSD17B10
SCHEMBL10392048 0.81 MMP13 (0.50) ESR1ESR2HPGDTSHRHSD17B10
SCHEMBL10392044 0.81 ESR1 (0.40) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL9874462 0.79 MMP13 (0.50) ESR1ESR2ALDH1A1KMT2ALMNA
SCHEMBL8722675 0.79 ESR1 (0.44) ESR1ESR2HPGDTSHRHSD17B10
SCHEMBL10391857 0.77 ESR1 (0.41) ESR1HPGDTSHRHSD17B10ALDH1A1
SCHEMBL9773502 0.74 MMP13 (0.38) HPGDTSHRHSD17B10ALDH1A1KMT2A
SCHEMBL10401778 0.71 DDB1 (0.44) HSD17B10ALDH1A1KMT2ALMNAMMP13
SCHEMBL9730839 0.71 MMP13 (0.52) ALDH1A1KMT2ALMNAMMP13POLB
SCHEMBL9736118 0.70 CA12 (0.56) CYP3A4HPGDTSHRALDH1A1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4939251-A Novel spirolactones SHELL OIL COMPANY (US) 1990-07-03 US claimed
US-4889907-A Polymeric polyhyroxy polyether containing 1,6-diazaspiro-[4.4]nonane-2,7-dione units SHELL OIL COMPANY (US) 1989-12-26 US claimed
EP-0443688-B1 Spirodilactam-arylsulfone oligomers SHELL INT RESEARCH (NL) 1998-05-06 EP disclosed
EP-0372656-B1 Polymers comprising spirolactam units SHELL INT RESEARCH (NL) 1995-06-07 EP disclosed
EP-0359341-B1 1,6-diazaspiro[4,4]nonane-2,7-dione derivatives SHELL INT RESEARCH (NL) 1994-02-16 EP disclosed
US-5128436-A Cyclic polyhydroxy polyether oligomers having spirodilactam units SHELL OIL COMPANY (US) 1992-07-07 US disclosed
US-5095088-A Cyclic polycarbonate oligomer containing spiro diLactam moieties SHELL OIL COMPANY (US) 1992-03-10 US disclosed
US-5059674-A Cured arylcyclobutene ether spirodilactam SHELL OIL COMPANY (US) 1991-10-22 US disclosed
US-5049640-A Polyetherketones SHELL OIL COMPANY (US) 1991-09-17 US disclosed
EP-0443688-A2 Spirodilactam-arylsulfone oligomers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-28 EP disclosed
US-5030707-A Polycarbonate polymer having spirodilactam moieties SHELL OIL COMPANY (US) 1991-07-09 US disclosed
US-4935489-A LINEAR ALTERNATING, THERMOPLASTIC POLYETHERS; HIGH GLASS TRANSITION TEMPERATURE; DIMENSIONAL STABILITY SHELL OIL COMPANY (US) 1990-06-19 US disclosed
EP-0372656-A2 Polymers comprising spirolactam units SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-13 EP disclosed
US-4921931-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1990-05-01 US disclosed
EP-0359341-A2 1,6-diazaspiro[4,4]nonane-2,7-dione derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-03-21 EP disclosed
US-4910285-A Polyarylate polymers SHELL OIL COMPANY (US) 1990-03-20 US disclosed
US-4906725-A Polycarbonate containing spiro dilactam segment SHELL OIL COMPANY (US) 1990-03-06 US disclosed
US-4895942-A Novel epoxy compounds SHELL OIL COMPANY (US) 1990-01-23 US disclosed
US-4889907-A Polymeric polyhyroxy polyether containing 1,6-diazaspiro-[4.4]nonane-2,7-dione units SHELL OIL COMPANY (US) 1989-12-26 US disclosed
US-4847388-A Polycyclic unsaturated ethers and esters SHELL OIL COMPANY (US) 1989-07-11 US disclosed