SCHEMBL5491740

SCHEMBL5491740

CC(C)CC(C)(OOC(=O)c1ccc(C(=O)c2ccc(C(=O)OOC(C)(CC(C)C)c3ccccc3)c(C(=O)OOC(C)(CC(C)C)c3ccccc3)c2)cc1C(=O)OOC(C)(CC(C)C)c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ELANE P08246 9/20 0.37
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
PTGS1 P23219 5/20 0.33
PTGS2 P35354 5/20 0.33
MAPT P10636 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL4663349 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL269297 0.81 MAPK1 (0.44) ALDH1A1HSD17B10TSHRTDP1ELANE
Benzophenone SCHEMBL28803755 0.77 TDP1 (0.61) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL80073 0.75 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL32689847 0.74 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL81645 0.74 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL29361201 0.74 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL269413 0.72 TSHR (0.37) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL481608 0.72 MAPK1 (0.46) ALDH1A1HSD17B10SMN1; SMN2CYP3A4MAPK1
SCHEMBL2942392 0.72 TDP1 (0.40) ALDH1A1HSD17B10TSHRTDP1ELANE

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-7291443-B2 Polymerizable composition and image-recording material using the same FUJIFILM CORPORATION (JP) 2007-11-06 US disclosed
EP-1507170-A2 Polymerizable composition and image-recording material using the same Fuji Photo Film Co., Ltd. (JP) 2005-02-16 EP disclosed
US-20050026082-A1 Polymerizable composition and image-recording material using the same FUJI PHOTO FILM CO., LTD. 2005-02-03 US disclosed