SCHEMBL11102477

SCHEMBL11102477

CCCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 1/20 0.40
FAAH O00519 2/20 0.40
MEN1 O00255 1/20 0.40
ELANE P08246 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.38
RARB P10826 3/20 0.38

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
SCHEMBL11102482 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11102162 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11106577 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11106581 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11102159 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11105488 0.99 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11105492 0.99 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL7507863 0.96 HTT (0.45) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8432940 0.96 HTT (0.45) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11099157 0.95 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473487-A 4-Fluorobiphenyl derivatives, their preparation, and dielectrics and electro-optical display element containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-25 US disclosed