SCHEMBL9066613

SCHEMBL9066613

Cc1cc(C)c(C(CCCCCC(=O)O)c2ccccc2)c(O)c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.65
TBXAS1 P24557 7/20 0.49
FABP4 P15090 1/20 0.41
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL8743182 0.89 TBXA2R (0.76) TBXA2RTBXAS1FABP4
SCHEMBL8743193 0.89 TBXA2R (0.76) TBXA2RTBXAS1FABP4
SCHEMBL9066261 0.85 TBXA2R (0.79) TBXA2RTBXAS1MAPTRXFP1HDAC3
SCHEMBL22172494 0.82 TBXA2R (0.64) TBXA2RTBXAS1MAPTRXFP1HDAC3
SCHEMBL7325010 0.81 TBXA2R (0.47) TBXA2RFABP4TSHRALDH1A1
SCHEMBL9507218 0.79 TBXA2R (0.76) TBXA2RTBXAS1FABP4
SCHEMBL9506941 0.77 TBXA2R (0.51) TBXA2RALDH1A1
SCHEMBL8743043 0.77 TBXA2R (0.40) TBXA2RGAAHPGDTSHRALDH1A1
SCHEMBL8743050 0.77 TBXA2R (0.40) TBXA2RGAAHPGDTSHRALDH1A1
SCHEMBL7683666 0.77 TBXAS1 (0.73) TBXA2RTBXAS1MAPTRXFP1HDAC3

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