SCHEMBL7701229

SCHEMBL7701229

COC(=O)c1cc(-c2ccccc2)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.48
RARG P13631 3/20 0.48
RARA P10276 3/20 0.48
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
NR4A2 P43354 2/20 0.41
RXRA P19793 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
SLC6A3 Q01959 3/20 0.40
KDM4E B2RXH2 2/20 0.40
AXL P30530 1/20 0.40
CNR2 P34972 2/20 0.39
PLA2G2A P14555 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL7478726 0.86 RARB (0.56) RARBRARGRARARXRA
SCHEMBL6347726 0.75 RARB (0.49) RARBRARGRARARXRAKDM4E
SCHEMBL28726425 0.73 TSHR (0.53) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL6348337 0.71 RARB (0.46) RARBRARGRARARXRA
SCHEMBL6348359 0.71 RARB (0.46) RARBRARGRARAALDH1A1MEN1
SCHEMBL27386788 0.70 EGFR (0.65) ALDH1A1GAAMEN1MAPTKMT2A
Dimethyl Phthalate SCHEMBL3686830 0.70 TSHR (0.63) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL14252250 0.70 NR4A2 (0.59) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL70440 0.70 NR4A2 (0.59) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL421466 0.69 IKBKB (0.65) ALDH1A1GAAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346546-B1 COMPOUNDS HAVING MARKED ACTIVITY IN FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION; TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-12 US disclosed
US-6103762-A A BIAROMATIC COMPOUNDS IN WHICH THE AROMATIC NUCLEI ARE CONNECTED BY A PROPYNYLENE OR ALLENYLENE DIVALENT RADICAL, USEFUL AS HUMAN OR VETERINARY MEDICINE OR USED IN COSMETICS OR KERATINIZATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2000-08-15 US disclosed