SCHEMBL9508154

SCHEMBL9508154

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.74
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 4/20 0.38
FABP4 P15090 1/20 0.38
TBXAS1 P24557 1/20 0.38
LMNA P02545 2/20 0.37
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
FOLH1 Q04609 2/20 0.34
MEN1 O00255 1/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
PGR P06401 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34

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 0.92 TBXA2R (0.76) TBXA2RSLC6A3KCNH2FABP4TBXAS1
SCHEMBL8743193 0.87 TBXA2R (0.76) TBXA2RSLC6A3KCNH2FABP4TBXAS1
SCHEMBL8743182 0.87 TBXA2R (0.76) TBXA2RSLC6A3KCNH2FABP4TBXAS1
SCHEMBL8742836 0.82 TBXA2R (0.75) TBXA2RSLC6A3KCNH2TBXAS1LMNA
SCHEMBL8742842 0.82 TBXA2R (0.75) TBXA2RSLC6A3KCNH2TBXAS1LMNA
SCHEMBL9699510 0.81 TBXA2R (0.82) TBXA2RSLC6A3KCNH2TBXAS1LMNA
SCHEMBL8743284 0.81 TBXA2R (0.80) TBXA2RSLC6A3KCNH2TBXAS1LMNA
SCHEMBL8743288 0.81 TBXA2R (0.80) TBXA2RSLC6A3KCNH2TBXAS1LMNA
SCHEMBL8743215 0.81 TBXA2R (0.80) TBXA2RSLC6A3KCNH2TBXAS1LMNA
SCHEMBL8743202 0.81 TBXA2R (0.80) TBXA2RSLC6A3KCNH2TBXAS1LMNA

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
EP-0295037-B1 PHENOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-08-18 EP disclosed
US-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
EP-0295037-A2 Phenol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-12-14 EP disclosed