SCHEMBL9735755

SCHEMBL9735755

OCC1(c2ccc(F)cc2)OC1c1ccccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
HTR2B P41595 1/20 0.37
TACR1 P25103 6/20 0.36
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RBP4 P02753 2/20 0.32
KCNN4 O15554 1/20 0.31

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
SCHEMBL9735750 1.00 HTR2C (0.37) HTR2CHTR2BTACR1GAATDP1
SCHEMBL9735754 1.00 HTR2C (0.37) HTR2CHTR2BTACR1GAATDP1
SCHEMBL9660954 0.90 HTR2C (0.39) HTR2CHTR2BGAATDP1RBP4
SCHEMBL9660957 0.90 HTR2C (0.39) HTR2CHTR2BGAATDP1RBP4
SCHEMBL9660946 0.90 HTR2C (0.39) HTR2CHTR2BGAATDP1RBP4
SCHEMBL10444313 0.83 KCNN4 (0.41) HTR2CHTR2BTDP1KCNN4
SCHEMBL1498901 0.82 BACE1 (0.41) HTR2CHTR2BTACR1GAATDP1
SCHEMBL9725042 0.81 KCNN4 (0.32) HTR2CHTR2BTDP1KCNN4
SCHEMBL9725044 0.81 KCNN4 (0.32) HTR2CHTR2BTDP1KCNN4
SCHEMBL6409586 0.81 KCNN4 (0.42) HTR2CHTR2BTDP1KCNN4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098917-A And process for killing fungi BASF AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
US-5028618-A Imidazole oxirane compounds BASF AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0379081-A2 Process for the preparation of 1-hydroxymethyl oxiranes Z-substituted in position 2 BASF Aktiengesellschaft (DE) 1990-07-25 EP disclosed
US-4940717-A Fungicidal imidazolylmethyloxiranes BASF AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed