SCHEMBL11615206

SCHEMBL11615206

CC1(C)CC(=O)C(Br)C(Br)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 9/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 5/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C9 P11712 3/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL305185 0.70 MAPT (0.54) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL108518 0.69
SCHEMBL21247206 0.69
Bromide SCHEMBL3997504 0.69 MAPT (0.52) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL569284 0.67
SCHEMBL19784252 0.67
SCHEMBL8676575 0.65 MAPT (0.48) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL13799453 0.65
SCHEMBL21941275 0.64 MAPT (0.42) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL3536541 0.64 MAPT (0.41) MAPTALDH1A1POLBKDM4ETSHR

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-4102896-A Preparation of a 5-(2,2-dihalovinyl)-4,4-dimethyl-2-oxotetrahydrofuran IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-07-25 US disclosed