SCHEMBL8552039

SCHEMBL8552039

CCCC(Br)Oc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
NR1I2 O75469 1/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ACHE P22303 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL9310814 0.82 SLC6A4 (0.41) ALDH1A1KMT2ASLC6A4NPSR1
SCHEMBL11241942 0.82 PPARA (0.41) SLC6A4
SCHEMBL3654344 0.82 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1ACHEMTNR1A
SCHEMBL2773412 0.82 SLC6A4 (0.41) ALDH1A1SLC6A4MTNR1AMTNR1B
SCHEMBL11050242 0.79 ALDH1A1 (0.39) CA1CA2CA9ALDH1A1MAPK1
SCHEMBL10805408 0.79 HTT (0.40) TAS1R3TAS1R1ALDH1A1KMT2ASLC6A4
SCHEMBL20324943 0.79 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9772487 0.76 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9000719 0.76 CYP4F2 (0.47) ALDH1A1KMT2AGAA
SCHEMBL7898657 0.75 CYP3A4 (0.42) MAPK1

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-0842174-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1998-05-20 EP disclosed
WO-1997005134-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1997-02-13 WO disclosed
EP-0538751-B1 Thermal transfer image-receiving material FUJI PHOTO FILM CO LTD (JP) 1996-03-06 EP disclosed
US-5326740-A Image storage stability, antifading group incorporated in the polyester layer FUJI PHOTO FILM CO., LTD. (JP) 1994-07-05 US disclosed
EP-0538751-A1 Thermal transfer image-receiving material FUJI PHOTO FILM CO., LTD. (JP) 1993-04-28 EP disclosed