SCHEMBL25200098

SCHEMBL25200098

CCC(C)(C)c1ccc(C(=O)C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.63
MAPT P10636 3/20 0.63
MEN1 O00255 1/20 0.63
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.63
RECQL P46063 1/20 0.63
KMT2A Q03164 1/20 0.63
TLR9 Q9NR96 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
MAOA P21397 1/20 0.59
CYP1B1 Q16678 7/20 0.59
CYP1A1 P04798 6/20 0.52
PTPN1 P18031 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL25574505 1.00 MAOB (0.63) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL24634152 0.87 ESR1 (0.67) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL1659832 0.83 ESR1 (0.86) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL1659833 0.83 ESR1 (0.86) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL19471299 0.81 MAPT (0.68) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL25373747 0.81 CYP1B1 (0.75) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL9341690 0.81 MAPT (0.68) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL16185807 0.79 ESR1 (0.73) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL5873151 0.79 ESR1 (0.73) MAOBMAPTMEN1USP2ALDH1A1
SCHEMBL22198763 0.79 MAPT (0.83) MAOBMAPTMEN1USP2ALDH1A1

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
WO-2023092612-A1 TWO-DIMENSIONAL COORDINATION POLYMER BASED ON ISOCYANO COORDINATION 上海交通大学 2023-06-01 WO disclosed
US-20230159710-A1 Two-Dimensional Coordination Polymer Based On Isocyano Coordination SHANGHAI JIAO TONG UNIVERSITY (CN) 2023-05-25 US disclosed
CN-114672033-B Two-dimensional coordination polymer based on isocyano coordination 上海交通大学 2023-03-10 CN disclosed
CN-114672033-A Two-dimensional coordination polymer based on isocyano coordination 上海交通大学 2022-06-28 CN disclosed