SCHEMBL7784256

SCHEMBL7784256

CC(=O)c1cccc(Cl)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
TSHR P16473 2/20 0.41
NOTUM Q6P988 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RORC P51449 2/20 0.40
RORB Q92753 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDK2 Q15119 3/20 0.40
ALDH1A1 P00352 1/20 0.39
PDK1 Q15118 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
TYK2 P29597 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL20268801 0.83 ALDH1A1 (0.47) P2RX1P2RX4P2RX7TMPRSS4TSHR
SCHEMBL3270458 0.83 TSHR (0.57) P2RX1P2RX4P2RX7TMPRSS4TSHR
SCHEMBL17350975 0.81 KMT2A (0.47) P2RX1P2RX4P2RX7TMPRSS4TSHR
SCHEMBL696461 0.79 P2RX1 (0.44) P2RX1RXFP1PDK2ALDH1A1PDK1
SCHEMBL2001643 0.79 LMNA (0.46) NOTUMRXFP1PDK2
SCHEMBL24445835 0.79 THRB (0.47) P2RX1P2RX4P2RX7TSHRRXFP1
SCHEMBL7784257 0.77 PTPN1 (0.45) P2RX1P2RX4P2RX7TMPRSS4TSHR
SCHEMBL668679 0.77 TSHR (0.54) TSHRPDK2ALDH1A1KDM4E
SCHEMBL6355540 0.75 ACHE (0.39) P2RX1P2RX7RXFP1PDK2PDK1
SCHEMBL7787354 0.75 SMN1; SMN2 (0.47) TSHRRXFP1

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-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed