SCHEMBL9502876

SCHEMBL9502876

CCOP(=O)(Cc1cccc(CCl)c1)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.42
CDK9 P50750 5/20 0.42
HDAC1 Q13547 2/20 0.40
TSHR P16473 2/20 0.38
NPY5R Q15761 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
EGFR P00533 2/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3390402 0.91 CCNT1 (0.46) CCNT1CDK9HDAC1TSHRNPY5R
SCHEMBL5301923 0.86 POLB (0.45) CCNT1CDK9HDAC1TSHRNPY5R
SCHEMBL3922951 0.83 CCNT1 (0.42) CCNT1CDK9HDAC1TSHRNPY5R
SCHEMBL1305912 0.83 CYP3A4 (0.43) CCNT1CDK9HDAC1MAPT
SCHEMBL3393833 0.82 NPY5R (0.42) CCNT1CDK9HDAC1TSHRNPY5R
SCHEMBL1831290 0.81 IDO1 (0.44) CCNT1CDK9HDAC1MAPTHTT
SCHEMBL29427115 0.81 IDO1 (0.44) CCNT1CDK9HDAC1MAPTHTT
SCHEMBL914611 0.81 XIAP (0.41) CCNT1CDK9HDAC1
SCHEMBL9445966 0.81 TAAR1 (0.46) CCNT1CDK9HDAC1
SCHEMBL478915 0.80 CCNT1 (0.56) CCNT1CDK9HDAC1NPY5R

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
EP-0550574-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992005180-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed