SCHEMBL8729397

SCHEMBL8729397

CCCCCC1CCC(C2(C(=O)O)CCCCC2c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
KDM2B Q8NHM5 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
LIPE Q05469 2/20 0.35

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
SCHEMBL8729808 0.93 KDM1A (0.41) SLC6A4SLC6A3KDM1ARCOR1KDM2B
SCHEMBL8726232 0.87 TP53 (0.38) MEN1KMT2ACYP2C9POLB
SCHEMBL8726978 0.82 TP53 (0.35) POLBTDP1
SCHEMBL8727350 0.79 MEN1 (0.39) KDM1ARCOR1LMNAMEN1KMT2A
SCHEMBL8041229 0.76 SLC6A4 (0.39) SLC6A4SLC6A3KDM2BHDAC3HDAC1
SCHEMBL8729401 0.75 SLC6A4 (0.43) SLC6A4SLC6A3KDM2BHDAC3HDAC1
SCHEMBL8725822 0.75 CYP2C9 (0.36) SLC6A4SLC6A3KDM1ARCOR1LMNA
SCHEMBL8395944 0.74 SLC6A4 (0.45) SLC6A4SLC6A3KDM1ARCOR1KDM4E
SCHEMBL8724289 0.73 CYP1A2 (0.38) LMNAMEN1KMT2ACYP2C9POLB
SCHEMBL9061548 0.73 MEN1 (0.48) SLC6A4SLC6A3KDM2BHDAC3HDAC1

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-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed