SCHEMBL6746660

SCHEMBL6746660

CCCCC1CCC(C2CCC(C3CCC(OC(=O)C(F)(F)F)CC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.46
MAPT P10636 1/20 0.39
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CES2 O00748 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 1/20 0.33
SLC1A2 P43004 1/20 0.32

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
SCHEMBL6750506 1.00 NAAA (0.46) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL6746586 0.91 TLR4 (0.38) NAAAMAPTLMNAMAPK1CES2
SCHEMBL6746593 0.87 NAAA (0.37) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL6746634 0.86 CYP19A1 (0.41) NAAA
SCHEMBL21731845 0.85 NAAA (0.42) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL6750502 0.83 NAAA (0.40) NAAA
SCHEMBL11196185 0.83 NAAA (0.49) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL10996045 0.83 NAAA (0.49) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL10708322 0.83 NAAA (0.49) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL10346733 0.81 NAAA (0.51) NAAAMAPTCYP1A2POLBHPGD

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-6685995-B1 LOW VOLTAGE, WIDE TEMPERATURE RANGE DRIVING; HIGH SPEED RESPONSE CHISSO CORPORATION (JP) 2004-02-03 US disclosed
EP-1053996-A1 ESTER COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 2000-11-22 EP disclosed