SCHEMBL6568328

SCHEMBL6568328

O=C1C2CCC(C2)C1c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
RECQL P46063 1/20 0.45
SLC6A3 Q01959 5/20 0.39
SLC6A2 P23975 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CACNG8 Q8WXS5 2/20 0.34
LDHA P00338 2/20 0.34
SLC9A1 P19634 1/20 0.34
GRIA1 P42261 1/20 0.34
LDHB P07195 1/20 0.34

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
SCHEMBL26934681 0.75 AKR1C3 (0.42) SMN1; SMN2GAAALDH1A1HPGDHSD17B10
SCHEMBL29642529 0.75 AKR1C3 (0.42) SMN1; SMN2GAAALDH1A1HPGDHSD17B10
SCHEMBL16568791 0.75 AKR1C3 (0.42) SMN1; SMN2GAAALDH1A1HPGDHSD17B10
SCHEMBL17997343 0.75 AKR1C3 (0.42) SMN1; SMN2GAAALDH1A1HPGDHSD17B10
SCHEMBL8779972 0.75 AKR1C3 (0.42) SMN1; SMN2GAAALDH1A1HPGDHSD17B10
SCHEMBL16582761 0.75 AKR1C3 (0.42) SMN1; SMN2GAAALDH1A1HPGDHSD17B10
SCHEMBL1897406 0.71 TP53 (0.57) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL8747411 0.71 TP53 (0.53) TP53RECQLHTR2AHTR2CHTR2B
Charcoal, Activated SCHEMBL5897477 0.69 TP53 (0.55) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL10978690 0.68 TP53 (0.50) TP53RECQLHTR2AHTR2CHTR2B

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 3 patents. 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
EP-1280811-A1 HYDROFORMYLATION METHOD, BRIDGED COMPOUNDS OF PHOSPHORUS, ARSENIC AND ANTIMONY AND CATALYST COMPRISING A COMPLEX OF SAID BRIDGED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-02-05 EP disclosed
WO-2001085739-A1 HYDROFORMYLATION METHOD, BRIDGED COMPOUNDS OF PHOSPHORUS, ARSENIC AND ANTIMONY AND CATALYST COMPRISING A COMPLEX OF SAID BRIDGED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-11-15 WO disclosed