SCHEMBL9698250

SCHEMBL9698250

Cc1cc(C)c(O)c(C(CCCCCC(=O)NC(C)C)c2ccc(F)cc2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.58
FOLH1 Q04609 3/20 0.40
SLC6A3 Q01959 3/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 3/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9507218 0.87 TBXA2R (0.76) TBXA2RFOLH1SLC6A3MEN1KMT2A
SCHEMBL9508154 0.79 TBXA2R (0.74) TBXA2RFOLH1SLC6A3MEN1KMT2A
SCHEMBL8743193 0.78 TBXA2R (0.76) TBXA2RFOLH1SLC6A3MEN1KMT2A
SCHEMBL8743182 0.78 TBXA2R (0.76) TBXA2RFOLH1SLC6A3MEN1KMT2A
SCHEMBL8742836 0.73 TBXA2R (0.75) TBXA2RSLC6A3MEN1KMT2AFAAH
SCHEMBL8742842 0.73 TBXA2R (0.75) TBXA2RSLC6A3MEN1KMT2AFAAH
SCHEMBL9506941 0.72 TBXA2R (0.51) TBXA2RKMT2AFAAHUSP2CYP3A4
SCHEMBL9508363 0.72 TBXA2R (0.51) TBXA2RSLC6A3KCNH2
SCHEMBL9699510 0.70 TBXA2R (0.82) TBXA2RFOLH1SLC6A3KCNH2LMNA
SCHEMBL8742924 0.70 TBXA2R (0.73) TBXA2RSLC6A3MEN1KMT2AFAAH

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-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed