SCHEMBL8215658

SCHEMBL8215658

CCCC1CCC(C2CCC(C3CCC(C(=O)OCC)CC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 6/20 0.43
POLB P06746 1/20 0.40
TLR4 O00206 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9288307 1.00 MAPT (0.45) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10850819 1.00 MAPT (0.45) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8991772 0.95 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8991774 0.95 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3189910 0.93 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10479620 0.93 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10479615 0.93 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3189915 0.93 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10844426 0.90 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10844424 0.90 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB

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
US-6030545-A HAVING A REDUCED VISCOSITY, A WIDE LIQUID CRYSTAL TEMPERATURE RANGE (HIGH CLEARING POINT), A HIGH CHEMICAL STABILITY (EXTREMELY HIGH SPECIFIC RESISTANCE, HIGH VOLTAGE HOLDING RATIO) AND A HIGH SOLUBILITY WITH OTHER LIQUID-CRYSTAL CHISSO CORPORATION (JP) 2000-02-29 US disclosed