SCHEMBL8385146

SCHEMBL8385146

CCCC(=O)Oc1ccc(CCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
THRB P10828 3/20 0.51
PPARA Q07869 1/20 0.51
THRA P10827 1/20 0.49
CYP4A11 Q02928 3/20 0.49
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP4F2 P78329 2/20 0.45
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1429998 0.90 THRB (0.58) BCL9CTNNB1THRBTHRAKMT2A
SCHEMBL10525898 0.87 THRB (0.64) BCL9CTNNB1THRBTHRAKMT2A
SCHEMBL28381508 0.87 THRB (0.64) BCL9CTNNB1THRBTHRAKMT2A
SCHEMBL9089951 0.87 THRB (0.64) BCL9CTNNB1THRBTHRAKMT2A
SCHEMBL937979 0.83 THRB (0.58) BCL9CTNNB1THRBTHRAKMT2A
SCHEMBL8387984 0.83 BCL9 (0.58) BCL9CTNNB1THRBPPARAKMT2A
SCHEMBL11023644 0.82 BCL9 (0.70) BCL9CTNNB1KMT2ALMNAALDH1A1
SCHEMBL4109203 0.82 BCL9 (0.54) BCL9CTNNB1THRBTHRAKMT2A
SCHEMBL8383316 0.82 KMT2A (0.55) BCL9CTNNB1THRBTHRACYP4A11
SCHEMBL18566933 0.82 BCL9 (0.54) BCL9CTNNB1THRBTHRAKMT2A

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
US-5877296-A REACTING DISULFIDE ANALOGS OF CALICHEAMICIN FAMILY WITH A CARRIER SUCH AS PROTEIN, PEPTIDE, MONO AND POLYCLONAL ANTIBODIES, THEIR ANTIGEN-RECOGNIZING FRAGMENTS AND CHEMICALLY OR GENETICALLY ENGINEERED COUNTERPARTS AMERICAN CYANAMID COMPANY (US) 1999-03-02 US disclosed
US-5773001-A ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
US-5767285-A USEFUL FOR CONSTRUCTING DRUG CONJUGATES; ANTIBIOTIC ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-16 US disclosed
US-5739116-A DISULFIDE DERIVATIVE OF CALICHEAMICIN FAMILY; ANTITUMOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-04-14 US disclosed