SCHEMBL11220672

SCHEMBL11220672

O=C(c1ccc(Br)cc1)C1CC2C=CC1C2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
RORC P51449 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
MGLL Q99685 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8011160 0.85 KDM4E (0.47) KDM4ELMNATHRBCES2CES1
SCHEMBL21895671 0.83 KDM4E (0.46) KDM4ELMNATHRBCES2CES1
SCHEMBL1243476 0.83 KDM4E (0.46) KDM4ELMNATHRBCES2CES1
SCHEMBL818204 0.83 KDM4E (0.49) KDM4ELMNATHRBALDH1A1KMT2A
SCHEMBL14449130 0.83 KDM4E (0.49) KDM4ELMNATHRBALDH1A1KMT2A
SCHEMBL11339493 0.76 LMNA (0.46) KDM4ELMNATHRBALDH1A1KMT2A
SCHEMBL21895666 0.75 CES2 (0.46) KDM4ELMNACES2CES1ALDH1A1
SCHEMBL1748182 0.72 KMO (0.57) CES2CES1HSD11B1RORCCA1
SCHEMBL12265866 0.72 KMO (0.57) CES2CES1HSD11B1RORCCA1
SCHEMBL1748183 0.72 KMO (0.57) CES2CES1HSD11B1RORCCA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57128641-A None JP disclosed
JP-S57128641-A 2-NORBORNENE COMPOUND GRELAN PHARMACEUT CO LTD 1982-08-10 JP disclosed