SCHEMBL444335

SCHEMBL444335

CCc1c2c3c(ccc4c5ccc6c7c(ccc(c(c1CC)c34)c75)C(=O)N(CC(=O)O)C6=O)C(=O)N(CC(=O)O)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.46
PIN4 Q9Y237 1/20 0.46
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TERT O14746 4/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 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
SCHEMBL13148744 0.81 KDM4E (0.62) PIN1PIN4KMT2AKDM4EMEN1
SCHEMBL860250 0.75 CA12 (0.70) PIN1PIN4KMT2AKDM4EMEN1
SCHEMBL16601804 0.74 KDM4E (0.51) PIN1PIN4KMT2AKDM4EMEN1
SCHEMBL12606551 0.73 KDM4E (0.56) PIN1PIN4KMT2AKDM4EMEN1
SCHEMBL22018376 0.72 MEN1 (0.55) PIN1PIN4KMT2AKDM4EMEN1
SCHEMBL13249175 0.72 KMT2A (0.48) PIN1PIN4KMT2AKDM4EMEN1
SCHEMBL29322688 0.71 KMT2A (0.60) PIN1PIN4KMT2AKDM4EMEN1
SCHEMBL444334 0.71 PIN1 (0.88) PIN1PIN4KMT2AMEN1ALDH1A1
SCHEMBL11947524 0.68 ANPEP (0.50) PIN1PIN4KMT2AKDM4EMEN1
SCHEMBL10062486 0.67 TERT (0.61) PIN1PIN4KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072814-A1 METHODS AND COMPOSITIONS FOR THE GENERATION AND USE OF CONFORMATION-SPECIFIC ANTIBODIES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-03-15 US disclosed
US-9796784-B2 Methods and compositions for the generation and use of conformation-specific antibodies BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-10-24 US disclosed
US-20150038683-A1 METHODS AND COMPOSITIONS FOR THE GENERATION AND USE OF CONFORMATION-SPECIFIC ANTIBODIES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2015-02-05 US disclosed
US-20140242100-A1 METHODS AND COMPOSITIONS FOR THE GENERATION AND USE OF CONFORMATION-SPECIFIC ANTIBODIES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-08-28 US disclosed
US-8802439-B2 Methods for enhancing infectivity of retroviruses NATIONAL INSTITUTES OF HEALTH 2014-08-12 US disclosed
US-8771693-B2 Methods and compositions for the generation and use of conformation-specific antibodies BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-07-08 US disclosed
EP-2733213-A1 Kit for producing a retrovirus with enhanced infectivity Saphire, Andrew C. (US) 2014-05-21 EP disclosed
US-20130028900-A1 METHODS AND COMPOSITIONS FOR THE GENERATION AND USE OF CONFORMATION-SPECIFIC ANTIBODIES BETH ISRAEL DEACONESS MEDICAL CENTER INC. (US) 2013-01-31 US disclosed
US-20120064604-A1 METHODS FOR ENHANCING INFECTIVITY OF RETROVIRUSES NATIONAL INSTITUTES OF HEALTH 2012-03-15 US disclosed