SCHEMBL6567401

SCHEMBL6567401

O[C@@H]1CCCC[C@H]1c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
DPP4 P27487 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
FABP5 Q01469 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC9A1 P19634 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
TP53 P04637 1/20 0.39
SLC18A3 Q16572 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL6567402 1.00 CDK4 (0.48) CDK4CCND1DPP4HTR2AHTR2C
SCHEMBL6567398 1.00 CDK4 (0.48) CDK4CCND1DPP4HTR2AHTR2C
SCHEMBL21452231 0.96 CDK4 (0.45) CDK4CCND1DPP4HTR2AHTR2C
SCHEMBL21452204 0.82 CDK4 (0.39) CDK4CCND1HPGDTSHRMEN1
SCHEMBL6568329 0.81 DPP4 (0.52) DPP4HTR2AHTR2CHTR2BHPGD
SCHEMBL6567731 0.81 DPP4 (0.52) DPP4HTR2AHTR2CHTR2BHPGD
SCHEMBL6568327 0.81 DPP4 (0.52) DPP4HTR2AHTR2CHTR2BHPGD
SCHEMBL6567736 0.81 DPP4 (0.52) DPP4HTR2AHTR2CHTR2BHPGD
SCHEMBL9391060 0.78 KMT2A (0.65) CDK4CCND1HTR2AHTR2CHTR2B
SCHEMBL9387582 0.78 KMT2A (0.65) CDK4CCND1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280811-B1 HYDROFORMYLATION METHOD, BRIDGED COMPOUNDS OF PHOSPHORUS, ARSENIC AND ANTIMONY AND CATALYST COMPRISING A COMPLEX OF SAID BRIDGED COMPOUNDS BASF AG (DE) 2004-10-13 EP disclosed