SCHEMBL4698719

SCHEMBL4698719

CCCCCCCCCCCCOC(=O)c1[c]cccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TSHR P16473 4/20 0.62
LMNA P02545 2/20 0.62
CYP3A4 P08684 2/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 1/20 0.59
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
MMP2 P08253 1/20 0.48
PPARG P37231 3/20 0.47
CNR2 P34972 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47

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
SCHEMBL4623124 1.00 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5144058 1.00 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5145803 1.00 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4630885 1.00 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4630359 0.98 TSHR (0.61) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL131719 0.94 TSHR (0.60) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL130905 0.87 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL10445790 0.85 TSHR (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5147088 0.84 TSHR (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11416341 0.84 TSHR (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1

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
EP-1904500-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-04-02 EP claimed
WO-2007006807-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-01-18 WO claimed
CN-101223174-A Novel derivatives of heptaazaphenalene, method for obtaining them, and their use as UV radiation protective agents ISDIN SA (ES) 2008-07-16 CN disclosed
EP-0444604-A2 Crosslinking of fluorrubber via crosslinking initiators not forming any methyl- or phenyl-radicals Elf Atochem Deutschland GmbH (DE) 1991-09-04 EP disclosed
US-4918047-A CONTAINING OXYSALICYLIC ACID DERIVATIVE AND ZINC COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1990-04-17 US disclosed
US-4871713-A Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-10-03 US disclosed
US-4839332-A AMINO-SUBSTITUTED FLUORENE AND ACID; DISCOLORATION INHIBITON, CHEMICAL RESISTANCE FUJI PHOTO FILM CO., LTD. (JP) 1989-06-13 US disclosed
US-4771034-A LEUCO DYE, SALICYCLIC ACID DERIVATIVE AS ELECTRON ACCEPTOR FUJI PHOTO FILM CO., LTD. (JP) 1988-09-13 US disclosed
EP-0275203-A2 Heat-sensitive recording material containing color forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-07-20 EP disclosed
EP-0253666-A2 Heat-sensitive recording material containing dye-forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-01-20 EP disclosed
EP-0219302-A2 Recording materials FUJI PHOTO FILM CO., LTD. (JP) 1987-04-22 EP disclosed
US-3948663-A Multi-layer color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JA) 1976-04-06 US disclosed