SCHEMBL6160953

SCHEMBL6160953

CCOC(=O)c1ccc(Br)c(Br)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 3/20 0.41

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
SCHEMBL9736115 0.87 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL18468247 0.87 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL9303395 0.84 TSHR (0.52) TSHRCA12CA1CA2CA7
SCHEMBL24718020 0.83 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL19948858 0.83 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL7582968 0.83 CYP4F2 (0.55) TSHRCA12CA1CA2CA7
SCHEMBL30798535 0.83 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL292394 0.83 TSHR (0.63) TSHRCA12CA1CA2CA7
SCHEMBL1028047 0.81 CA1 (0.43) TSHRCA12CA1CA2CA7
SCHEMBL9304224 0.81 MAPT (0.51) TSHRCA12CA1CA2CA7

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