SCHEMBL15040959

SCHEMBL15040959

Cc1c(C)c2cc(C(=O)c3ccc4c(c3)c(C)c(C)c3ccccc34)ccc2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GLA P06280 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL15041011 0.88 CES2 (0.48) TDP1KDM4EALDH1A1HPGDMAPT
SCHEMBL19421027 0.85 ATM (0.52) ATMTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL19421030 0.85 ATM (0.52) ATMTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL19421029 0.85 ATM (0.52) ATMTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL19421028 0.85 ATM (0.52) ATMTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL16271510 0.80 CES2 (0.39) TDP1KDM4EALDH1A1HPGDMAPT
SCHEMBL978869 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2SRD5A2
SCHEMBL975343 0.80 ALDH1A1 (0.59) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL29780395 0.80 ALDH1A1 (0.59) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL30776759 0.79 ATM (0.64) ATMTDP1L3MBTL1ALDH1A1HPGD

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
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 WO disclosed