SCHEMBL10474182

SCHEMBL10474182

CCOC(=O)C(CCCOCc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.56
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 6/20 0.45
MAPK1 P28482 4/20 0.45
MMP8 P22894 2/20 0.45
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MDM2 Q00987 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.42
MMP3 P08254 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP3A4 P08684 1/20 0.39

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
SCHEMBL5321935 0.91 TDP1 (0.67) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL7429704 0.89 TDP1 (0.61) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL5857539 0.87 TDP1 (0.61) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL3290933 0.85 TDP1 (0.59) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL16826227 0.85 TDP1 (0.59) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL7573913 0.84 TDP1 (0.55) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL27393325 0.82 TDP1 (0.57) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL900165 0.82 TDP1 (0.57) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL8702350 0.81 MDM2 (0.51) TDP1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL10474638 0.81 TDP1 (0.56) TDP1KMT2AMEN1L3MBTL1MAPK1

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-4920221-A CENTRAL NERVOUS SYSTEM ACTIVE AGENTS PFIZER INC. (US) 1990-04-24 US disclosed
EP-0090516-B1 SUBSTITUTED HEXAHYDROPYRROLO(1,2-A)-QUINOLINE, HEXAHYDRO-1H-PYRIDO(1,2-A)-QUINOLINE, HEXAHYDROBENZO(3)INDENE AND OCTAHYDROPHENANTHRENE CNS AGENTS PFIZER INC. (US) 1988-07-06 EP disclosed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 US disclosed
EP-0090526-B1 SUBSTITUTED DODECAHYDROTRIPHENYLENES, DECAHYDRO-1H-CYCLOPENTA(1)PHENANTHRENES, DECAHYDRO-1H-PYRIDO(1,2-F)PHENANTHRIDINES AND DECAHYDROPYRROLO(1,2-F)PHENANTHRIDINES AS CNS AGENTS PFIZER INC. (US) 1986-11-26 EP disclosed
US-4576964-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1986-03-18 US disclosed
EP-0079134-B1 STEREOSPECIFIC SYNTHESIS OF 5-PHENYL-2S-PENTANOL PFIZER INC. (US) 1985-02-06 EP disclosed
US-4476131-A ANTIEMETICS, ANALGESICS PFIZER INC. (US) 1984-10-09 US disclosed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 US disclosed
US-4412958-A Stereospecific synthesis of 5-phenyl-2S-pentanol PFIZER INC. (US) 1983-11-01 US disclosed
EP-0090516-A1 Substituted hexahydropyrrolo(1,2-a)-quinoline, hexahydro-1H-pyrido(1,2-a)-quinoline, hexahydrobenzo(3)indene and octahydrophenanthrene CNS agents PFIZER INC. (US) 1983-10-05 EP disclosed
EP-0090526-A1 Substituted dodecahydrotriphenylenes, decahydro-1H-cyclopenta(1)phenanthrenes, decahydro-1H-pyrido(1,2-f)phenanthridines and decahydropyrrolo(1,2-f)phenanthridines as CNS agents PFIZER INC. (US) 1983-10-05 EP disclosed
EP-0079134-A1 Stereospecific synthesis of 5-phenyl-2S-pentanol PFIZER INC. (US) 1983-05-18 EP disclosed