SCHEMBL4261966

SCHEMBL4261966

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.50
▸ PGR P06401 6/20 0.50
▸ NR3C2 P08235 2/20 0.50
▸ SERPINA6 P08185 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL2953448 0.86 AR (0.46) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL29335494 0.86 AR (0.51) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL2833823 0.86 AR (0.51) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL29335775 0.86 AR (0.51) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13216960 0.83 AR (0.48) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL29335510 0.82 AR (0.49) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13474752 0.82 AR (0.49) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL7703808 0.82 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL2832958 0.82 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL30140884 0.82 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062236-A1 Programmable genotoxic agents and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-05 — — US disclosed
US-7169611-B2 Programmable genotoxic agents and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-01-30 — — US disclosed
US-20030220311-A1 Programmable genotoxic agents and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-11-27 — — US disclosed
US-6500669-B1 FOR SELECTIVELY KILLING A SUBPOPULATION OF CELLS IN A HETEROGENOUS CELL POPULATION; ALKYLATING AGENTS OR HEAVY METAL COORDINATION COMPOUNDS LINKED TO A COMPOUND THAT BINDS TO STEROID RECEPTOR MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-12-31 — — US disclosed
Send feedback