SCHEMBL7651048

SCHEMBL7651048

CC(C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(C)(C)C)cc4C(C)(C)C)c(-c4ccc(C(C)(C)C)cc4C(C)(C)C)c3)cc2-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.OPO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
RXRB P28702 3/20 0.35
RXRA P19793 2/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL374594 0.93 ALDH1A1 (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10728564 0.90 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
Phosphoric Acid SCHEMBL8431598 0.87 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
Phosphonic Acid SCHEMBL202529 0.87 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3475178 0.86 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29763177 0.81 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2357462 0.81 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29394789 0.80 RXRA (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30932116 0.79 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18063625 0.78 ALDH1A1 (0.42) 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
US-6461417-B1 Ink compositions XEROX CORPORATION 2002-10-08 US claimed
US-6461417-B1 Ink compositions XEROX CORPORATION 2002-10-08 US disclosed