SCHEMBL7887233

SCHEMBL7887233

CCC[C@H]1CC[C@H](C(=O)Oc2ccc(Br)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
F2 P00734 1/20 0.47
ELANE P08246 2/20 0.47
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7887235 1.00 KMT2A (0.51) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL13135346 0.94 HTT (0.58) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8904019 0.93 KMT2A (0.47) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8904016 0.93 KMT2A (0.47) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL7900546 0.88 HTT (0.51) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL12012965 0.88 KMT2A (0.51) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL7900545 0.88 HTT (0.51) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL2213018 0.87 KMT2A (0.50) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8447872 0.87 KMT2A (0.50) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9335362 0.87 F2 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174573-B1 3,4'-(HALO OR HALOGEN),4-((CYCLO)ALK(OXY)CARBONYLOXY)-DIPHENYLACETYLENE COMPOUNDS WHICH INCREASE THE N-I POINT (NEMATIC ANISOTROPY PHASE TRANSITION TEMPERATURE), AND THE DOUBLE REFRACTIVE INDEX CITIZEN WATCH CO., LTD. (JP) 2001-01-16 US disclosed
US-5972244-A INCREASE THE N-I POINT, DECREASE VISCOSITY, AND INCREASE DOUBLE REFRACTIVE INDEX OF A LIQUID CRYSTAL COMPOSITION WITHOUT AFFECTING THRESHOLD VOLTAGE CITIZEN WATCH CO., LTD. (JP) 1999-10-26 US disclosed