SCHEMBL2921671

SCHEMBL2921671

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX5 P09917 2/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
NFE2L2 Q16236 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
KEAP1 Q14145 1/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
NPC1 O15118 1/20 0.43
TNFRSF1A P19438 1/20 0.43

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
SCHEMBL10350353 0.85 ALOX5 (0.48) ALDH1A1TDP1ATML3MBTL1ALOX5
SCHEMBL28557290 0.85 ALDH1A1 (0.46) ALDH1A1TDP1ATML3MBTL1ALOX5
SCHEMBL8713885 0.82 ALDH1A1 (0.52) ALDH1A1TDP1ATML3MBTL1MEN1
SCHEMBL5696383 0.78 GLRA3 (0.63) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL9135750 0.78 PTGS2 (0.63) ALDH1A1TDP1ATML3MBTL1MEN1
SCHEMBL11606874 0.76 GLRA3 (0.61) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL10428264 0.75 HSP90AA1 (0.56) ALDH1A1TDP1ATML3MBTL1MEN1
SCHEMBL353943 0.74 FASN (0.64) ALDH1A1TDP1ATML3MBTL1MEN1
E319 SCHEMBL6674211 0.74 ALDH1A1 (0.67) ALDH1A1TDP1MEN1KMT2AALOX5
E319 SCHEMBL31517209 0.74 ALDH1A1 (0.67) ALDH1A1TDP1MEN1KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010030927-A SKIN CARE PREPARATION FOR EXTERNAL USE POLA CHEM IND INC 2010-02-12 JP disclosed