SCHEMBL8767682

SCHEMBL8767682

CCC(C(=O)c1ccc(OCCCCCl)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 8/20 0.56
TP53 P04637 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
MITF O75030 2/20 0.55
RAB9A P51151 1/20 0.55
NLRP1 Q9C000 1/20 0.55
JAK2 O60674 2/20 0.53
GAA P10253 1/20 0.49
PAX8 Q06710 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PLA2G4B P0C869 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8645421 0.99 LMNA (0.58) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL10828017 0.99 LMNA (0.58) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL8766893 0.99 LMNA (0.58) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL8766911 0.96 LMNA (0.61) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL845072 0.93 LMNA (0.61) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL8656435 0.87 LMNA (0.57) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL11500794 0.86 LMNA (0.62) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL10827790 0.86 BCHE (0.56) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL13531143 0.85 LMNA (0.61) LMNAHSD17B10SMN1; SMN2TP53MAPT
SCHEMBL7991466 0.85 LMNA (0.61) LMNAHSD17B10SMN1; SMN2TP53MAPT

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
EP-0638064-B1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER BRITISH TECH GROUP (GB) 1997-08-13 EP disclosed
US-5589500-A TREATMENT OF TUMORS OR ANTICARCINOGENIC AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-12-31 US disclosed
EP-0638064-A1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER. BRITISH TECH GROUP (GB) 1995-02-15 EP disclosed
WO-1993022275-A1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER BRITISH TECHNOLOGY GROUP LTD (GB) 1993-11-11 WO disclosed