SCHEMBL29514744

SCHEMBL29514744

Cc1ccc(C(=O)c2cccc(C)c2C)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
NPC1 O15118 2/20 0.56
POLB P06746 2/20 0.56
MITF O75030 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL309537 1.00 ALDH1A1 (0.65) ALDH1A1NPC1POLBMITFLMNA
SCHEMBL822239 0.97 ALDH1A1 (0.61) ALDH1A1NPC1POLBMITFLMNA
SCHEMBL29012352 0.87 POLB (0.51) ALDH1A1NPC1POLBMITFLMNA
SCHEMBL30445633 0.87 AKR1C3 (0.50) ALDH1A1NPC1POLBLMNAHTT
SCHEMBL17886095 0.85 ALDH1A1 (0.59) ALDH1A1NPC1POLBMITFLMNA
SCHEMBL12792043 0.85 ALDH1A1 (0.74) ALDH1A1NPC1POLBMITFLMNA
SCHEMBL22580864 0.82 SMN1; SMN2 (0.62) ALDH1A1NPC1POLBMITFLMNA
SCHEMBL11613229 0.81 AKR1C3 (0.59) ALDH1A1NPC1LMNASMN1; SMN2HTT
SCHEMBL7770949 0.81 HSD17B10 (0.67) ALDH1A1POLBLMNAHPGDHSD17B10
SCHEMBL29243962 0.81 MAPT (0.49) ALDH1A1NPC1POLBLMNASMN1; SMN2

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
CN-112409156-B Preparation method of tetraalkyl benzophenone 山东华夏神舟新材料有限公司 2022-04-08 CN disclosed