SCHEMBL6160950

SCHEMBL6160950

CCOC(=O)c1ccc(CBr)c(CBr)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HSD17B2 P37059 1/20 0.51
HCRTR1 O43613 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL31094175 1.00 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL18502198 0.88 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10944876 0.88 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL20703389 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL19230590 0.87 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL4267597 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL137329 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1198863 0.85 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL6300062 0.85 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2173855 0.85 CA12 (0.53) CA12CA1CA2CA7CA9

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed