SCHEMBL6163850

SCHEMBL6163850

CCCCCCCCCc1ccc(OOCCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
CYP3A4 P08684 2/20 0.64
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
MAPK1 P28482 1/20 0.64
CASP1 P29466 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
SLCO1B3 Q9NPD5 1/20 0.64
SLCO1B1 Q9Y6L6 1/20 0.64
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HTR2A P28223 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL6138495 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138551 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138513 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138455 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138560 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138604 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138349 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138677 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138599 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6138468 0.83 ALDH1A1 (0.82) ALDH1A1LMNACYP3A4MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064347-A1 HANDHELD DEVICE AND MULTIMODAL CONTRAST AGENT FOR EARLY DETECTION OF HUMAN DISEASE THE PENN STATE RESEARCH FOUNDATION 2018-03-08 US disclosed
EP-1013239-B1 Graft material convenience package DEPUY ORTHOPAEDICS INC (US) 2005-02-16 EP disclosed
US-20020165611-A1 GRAFT MATERIAL CONVENIENCE PACKAGE DEPUY ORTHOPAEDICS, INC. 2002-11-07 US disclosed
US-20010021875-A1 Graft material convenience package ENZERINK ROBERT-JAN (US) 2001-09-13 US disclosed
US-20010018619-A1 Graft material convenience package ENZERINK ROBERT-JAN (US) 2001-08-30 US disclosed
EP-1013239-A2 Graft material convenience package DEPUY ORTHOPAEDICS, INC. (US) 2000-06-28 EP disclosed