SCHEMBL9250388

SCHEMBL9250388

C=CCCCC1CCC(C(=O)Oc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F2 P00734 1/20 0.42
ELANE P08246 2/20 0.41
LSS P48449 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 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
SCHEMBL9250383 1.00 KMT2A (0.44) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9257968 0.96 KMT2A (0.41) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9257977 0.96 KMT2A (0.41) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9257982 0.96 KMT2A (0.41) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9252269 0.89 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9252295 0.89 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9166359 0.89 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9252273 0.89 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9257522 0.88 KMT2A (0.44) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9257519 0.88 KMT2A (0.44) KMT2AHTTSMN1; SMN2TDP1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5185098-A Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls HOFFMANN-LA ROCHE INC. (US) 1993-02-09 US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed