SCHEMBL7036787

SCHEMBL7036787

C=CCC(=Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CNR2 P34972 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AKR1C3 P42330 1/20 0.33
GAA P10253 1/20 0.33
PLIN1 O60240 1/20 0.33
LMNA P02545 1/20 0.33
PLIN5 Q00G26 1/20 0.33

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
SCHEMBL7219057 0.86 ALDH1A1 (0.44) CYP3A4CYP2C9ALDH1A1TSHRMEN1
SCHEMBL29720911 0.84 CYP3A4 (0.59) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL2850505 0.81 ALDH1A1 (0.39) CYP3A4CYP2C9ALDH1A1TSHRMEN1
SCHEMBL2850504 0.81 ALDH1A1 (0.39) CYP3A4CYP2C9ALDH1A1TSHRMEN1
SCHEMBL28957732 0.79 CYP3A4 (0.53) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL1791466 0.77 CYP3A4 (0.52) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL29859737 0.77 CYP3A4 (0.52) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL28379575 0.77 CYP3A4 (0.52) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL29120644 0.74 CYP3A4 (0.58) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL433428 0.74 ALDH1A1 (0.44) CYP3A4CYP2C9ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6779215-B2 Power toothbrush MCNEIL-PPC, INC. 2004-08-24 US disclosed
US-20030182745-A1 Power toothbrush JOHNSON & JOHNSON CONSUMER INC. 2003-10-02 US disclosed
EP-1348400-A1 Power toothbrush McNEIL-PPC, INC. (US) 2003-10-01 EP disclosed