SCHEMBL7394259

SCHEMBL7394259

O=C(c1ccccc1)c1cccc(CCCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ALDH1A1 P00352 1/20 0.52
PBRM1 Q86U86 1/20 0.52
HDAC8 Q9BY41 2/20 0.50
HDAC1 Q13547 2/20 0.50
CYP19A1 P11511 1/20 0.50
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL11845387 0.88 HDAC3 (0.65) TDP1ATML3MBTL1NPC1RAB9A
SCHEMBL1980273 0.87 FOLH1 (0.61) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL11702735 0.86 PPARG (0.54) TDP1ATML3MBTL1CYP4F2CYP4A11
SCHEMBL4669025 0.85 TDP1 (0.61) TDP1ATML3MBTL1ALDH1A1PBRM1
SCHEMBL3112767 0.84 KEAP1 (0.62) TDP1ATML3MBTL1ALDH1A1PBRM1
SCHEMBL11301145 0.84 TDP1 (0.59) TDP1ATML3MBTL1ALDH1A1PBRM1
SCHEMBL7953016 0.84 L3MBTL1 (0.59) TDP1ATML3MBTL1ALDH1A1PBRM1
SCHEMBL10905589 0.84 ATM (0.59) TDP1ATML3MBTL1ALDH1A1PBRM1
SCHEMBL27691637 0.84 L3MBTL1 (0.59) TDP1ATML3MBTL1RAB9AALDH1A1
SCHEMBL16559877 0.82 FOLH1 (0.66) TDP1NPC1RAB9ACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376517-B1 FOR TREATING VISION LOSS, PREVENTING VISION DEGENERATION, AND PROMOTING VISION REGENERATION (?NEOPSIS?) GPI NIL HOLDINGS, INC. 2002-04-23 US claimed
EP-0777478-B1 INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-07 EP claimed
US-5843960-A Inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1998-12-01 US claimed