SCHEMBL9835183

SCHEMBL9835183

CC(=O)c1cc(O)ccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
MIF P14174 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NR1I2 O75469 1/20 0.50
CYP2C9 P11712 1/20 0.50
TYR P14679 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 4/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 2/20 0.41
MEN1 O00255 1/20 0.41
S1PR4 O95977 1/20 0.41

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
SCHEMBL27952265 0.88 LMNA (0.46) ALDH1A1LMNAMIFALOX15HSD17B10
SCHEMBL19665480 0.84 CA12 (0.55) ALDH1A1LMNAMIFALOX15HSD17B10
SCHEMBL8604332 0.84 ALDH1A1 (0.55) ALDH1A1LMNAMIFALOX15HSD17B10
SCHEMBL24436717 0.82 CES2 (0.47) ALDH1A1LMNAMIFHTTHPGD
SCHEMBL25584048 0.80 CSNK2A1 (0.42) ALDH1A1LMNAHSD17B10TYRTSHR
SCHEMBL17935123 0.79 CA12 (0.62) ALDH1A1LMNAMIFALOX15HSD17B10
SCHEMBL12251418 0.78 PTGDR2 (0.46) ALDH1A1LMNAALOX15CYP2C9HTT
SCHEMBL12251320 0.78 NPC1 (0.44) ALDH1A1LMNAHTTMAPK1GAA
SCHEMBL25584049 0.78 MAPT (0.41) ALDH1A1LMNAALOX15HSD17B10CYP2C9
SCHEMBL16520525 0.76 ALDH1A1 (0.55) ALDH1A1LMNAMIFHSD17B10HPGD

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
EP-0237986-B1 FLAVONE CARBOXYLIC ACID DERIVATIVES Shudo, Koichi, Prof. Dr. (JP) 1991-10-02 EP disclosed
US-4925979-A INTERMEDIATES FOR ANTILEUKEMIA AGENTS, CELL DIFFERENTIATION SHIONOGI & CO., LTD. (JP) 1990-05-15 US disclosed
US-4831052-A DIFFERENTIATION-INDUCING AGENT FOR CERTAIN MALIONANT CELLS SHIONOGI & CO., LTD. (JP) 1989-05-16 US disclosed
EP-0237986-A2 Flavone carboxylic acid derivatives Shudo, Koichi, Prof. Dr. (JP) 1987-09-23 EP disclosed