SCHEMBL7775689

SCHEMBL7775689

CCC(C)c1[c]ccc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30

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
SCHEMBL699057 0.81 RORC (0.32) RORC
SCHEMBL2695258 0.76 ALDH1A1 (0.42) RORCALDH1A1HPGDALOX15HSD17B10
SCHEMBL20299156 0.74 PNMT (0.32) ALDH1A1HPGDALOX15HSD17B10
SCHEMBL7482706 0.71 ABCB11 (0.37) ALDH1A1HPGD
SCHEMBL6576802 0.69 RORC (0.34) RORCALDH1A1HPGDALOX15HSD17B10
SCHEMBL4468701 0.69 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15067852 0.68 ALDH1A1 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL25333 0.67 TSHR (0.42)
SCHEMBL28107086 0.67 HDAC4 (0.50) RORCALDH1A1HPGDALOX15HSD17B10
SCHEMBL226186 0.66 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1

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
EP-0726297-B1 Dye mixtures and their use CIBA SC HOLDING AG (CH) 2001-08-01 EP disclosed
EP-0726297-A1 Dye mixtures and their use CIBA-GEIGY AG (CH) 1996-08-14 EP disclosed