SCHEMBL9066261

SCHEMBL9066261

Cc1c(C)c(O)c(C(CCCCCC(=O)O)c2ccccc2)c(C)c1O

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.79
TBXAS1 P24557 7/20 0.52
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL16179029 0.88 TBXA2R (0.61) TBXA2RTBXAS1
SCHEMBL9019219 0.87 TBXA2R (0.61) TBXA2RTBXAS1
SCHEMBL22172494 0.85 TBXA2R (0.64) TBXA2RTBXAS1MAPTRXFP1HDAC3
SCHEMBL9066613 0.85 TBXA2R (0.65) TBXA2RTBXAS1MAPTRXFP1HDAC3
SCHEMBL7683666 0.80 TBXAS1 (0.73) TBXA2RTBXAS1MAPTRXFP1HDAC3
SCHEMBL7773626 0.80 TBXAS1 (0.73) TBXA2RTBXAS1MAPTRXFP1HDAC3
SCHEMBL9699510 0.79 TBXA2R (0.82) TBXA2RTBXAS1
SCHEMBL3154532 0.78 TBXAS1 (0.71) TBXA2RTBXAS1MAPTRXFP1HDAC3
SCHEMBL8743215 0.78 TBXA2R (0.80) TBXA2RTBXAS1
SCHEMBL8743284 0.78 TBXA2R (0.80) TBXA2RTBXAS1

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-0537954-B1 Process of preparing diphenylmethane derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-07-24 EP disclosed
US-5235091-A Reacting a phenol compound with a stilbene compound in presence of methanesulfonic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-10 US disclosed
EP-0537954-A1 Process of preparing diphenylmethane derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-04-21 EP disclosed