SCHEMBL16051995

SCHEMBL16051995

CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
TP53 P04637 2/20 0.67
CYP3A4 P08684 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
BLM P54132 1/20 0.67
CASP7 P55210 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CYP1A1 P04798 6/20 0.64
CYP1B1 Q16678 6/20 0.64
F3 P13726 2/20 0.61
P4HB P07237 1/20 0.61
TNFRSF1A P19438 1/20 0.59
MAOB P27338 5/20 0.59
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL16051996 1.00 CYP1A2 (0.70) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL23082321 0.95 CYP1A2 (0.64) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL23082314 0.95 CYP1A2 (0.64) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL8459973 0.93 MAPT (0.78) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL9338099 0.93 MAPT (0.77) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL28480168 0.93 MAPT (0.77) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL25265004 0.93 F3 (0.74) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL25194461 0.93 F3 (0.74) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL8459972 0.93 MAPT (0.78) CYP1A2MAPTSMN1; SMN2TP53CYP3A4
SCHEMBL29039999 0.92 HDAC1 (0.69) CYP1A2MAPTSMN1; SMN2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969029-A2 USE OF COSMETICALLY OR DERMATOLOGICALLY SAFE SUBSTITUTED MICHAEL ACCEPTORS FOR THE PREVENTION, REDUCTION OR PROPHYLAXIS OF THE TYROSINASE ACTIVITY OF THE HUMAN SKIN AND/OR THE LIGHTENING OF THE HUMAN SKIN Beiersdorf AG (DE) 2016-01-20 EP claimed
WO-2014139756-A2 USE OF COSMETICALLY OR DERMATOLOGICALLY SAFE SUBSTITUTED MICHAEL ACCEPTORS FOR THE PREVENTION, REDUCTION OR PROPHYLAXIS OF THE TYROSINASE ACTIVITY OF THE HUMAN SKIN AND/OR THE LIGHTENING OF THE HUMAN SKIN BEIERSDORF AG (DE) 2014-09-18 WO claimed
US-20210071080-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2021-03-11 US disclosed
EP-2600854-B1 PHENETHYL, PHENETHYLENE, PHENETHYNE AND INDANONE DERIVATES IN COSMETIC FORMULATIONS, ESPECIALLY FOR USE IN SKIN AGEING PROCESSES MERCK PATENT GMBH (DE) 2016-01-27 EP disclosed
EP-2969029-A2 USE OF COSMETICALLY OR DERMATOLOGICALLY SAFE SUBSTITUTED MICHAEL ACCEPTORS FOR THE PREVENTION, REDUCTION OR PROPHYLAXIS OF THE TYROSINASE ACTIVITY OF THE HUMAN SKIN AND/OR THE LIGHTENING OF THE HUMAN SKIN Beiersdorf AG (DE) 2016-01-20 EP disclosed
WO-2014139756-A2 USE OF COSMETICALLY OR DERMATOLOGICALLY SAFE SUBSTITUTED MICHAEL ACCEPTORS FOR THE PREVENTION, REDUCTION OR PROPHYLAXIS OF THE TYROSINASE ACTIVITY OF THE HUMAN SKIN AND/OR THE LIGHTENING OF THE HUMAN SKIN BEIERSDORF AG (DE) 2014-09-18 WO disclosed