SCHEMBL27872348

SCHEMBL27872348

CC(C)(N)c1cc(C=O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.49
▸ ALDH5A1 P51649 3/20 0.49
▸ ABAT P80404 3/20 0.49
▸ TRIM24 O15164 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TRIM33 Q9UPN9 1/20 0.49
▸ AOX1 Q06278 1/20 0.44
▸ NR1I2 O75469 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
Hydrochloric Acid SCHEMBL18281037 0.98 PTGS2 (0.52) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL30500661 0.85 PTGS2 (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL2632511 0.85 PTGS2 (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL13257342 0.80 KDM4E (0.61) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL29198614 0.79 KDM4E (0.50) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL29452390 0.77 KDM4E (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL856316 0.77 KDM4E (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL29061760 0.76 ALDH1A1 (0.42) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL3431682 0.73 PTGS2 (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL1698927 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HPGDTDP1NR1I2

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
CN-105085709-A Chitosan oligosaccharide quaternary ammonium salt derivative and method for preparing nanometer silver through same UNIV HENAN AGRICULTURAL 2015-11-25 — — CN claimed
CN-105085709-A Chitosan oligosaccharide quaternary ammonium salt derivative and method for preparing nanometer silver through same UNIV HENAN AGRICULTURAL 2015-11-25 — — CN disclosed
CN-102675134-B Nitrogen-containing substituent curcumin analogue and medical application thereof UNIV SOUTHEAST 2014-01-15 — — CN disclosed
CN-102675134-A Nitrogen-containing substituent curcumin analogue and medical application thereof UNIV SOUTHEAST 2012-09-19 — — CN disclosed
Send feedback