SCHEMBL1720112

SCHEMBL1720112

CCn1c2ccc(C(=O)CCC3CCCCC3)cc2c2cc(C(=O)c3ccccc3C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
BCHE P06276 2/20 0.46
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
THRB P10828 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
RAB9A P51151 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
PTGER4 P35408 4/20 0.41
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RORC P51449 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL29946981 1.00 ACHE (0.46) ACHEBCHEKMT2AALDH1A1MEN1
SCHEMBL852418 0.99 ACHE (0.47) ACHEBCHEKMT2AALDH1A1MEN1
SCHEMBL29689936 0.99 ACHE (0.47) ACHEBCHEKMT2AALDH1A1MEN1
SCHEMBL29620221 0.99 ACHE (0.47) ACHEBCHEKMT2AALDH1A1MEN1
SCHEMBL18122112 0.89 CNR1 (0.42) ACHEBCHEKMT2AALDH1A1MEN1
SCHEMBL21610323 0.87 NPC1 (0.53) ACHEBCHEKMT2AALDH1A1MEN1
Acetic Acid SCHEMBL29503102 0.86 KDM4E (0.41) ACHEBCHEKMT2AALDH1A1MEN1
Acetic Acid SCHEMBL22497411 0.86 KDM4E (0.41) ACHEBCHEKMT2AALDH1A1MEN1
Acetic Acid SCHEMBL29503053 0.85 KDM4E (0.42) ACHEBCHEKMT2AALDH1A1MEN1
Acetic Acid SCHEMBL26646497 0.85 KDM4E (0.42) ACHEBCHEKMT2AALDH1A1MEN1

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-2407456-B1 CARBAZOLE OXIME ESTER PHOTOINITIATOR CHANGZHOU TRONLY NEW ELECTRONIC MATERIALS CO LTD (CN) 2013-08-28 EP disclosed
EP-2407456-A1 CARBAZOLE OXIME ESTER PHOTOINITIATOR Changzhou Tronly New Electronic Materials Co., Ltd (CN) 2012-01-18 EP disclosed