SCHEMBL4527561

SCHEMBL4527561

SCCCCCCCCCCCCCl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
FOLH1 Q04609 1/20 0.32

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
SCHEMBL4531218 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL4517714 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL4530090 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL4530942 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL4519086 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL4531395 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL5575612 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL4528056 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL4530001 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4
SCHEMBL4535359 1.00 TSHR (0.44) TSHRALDH1A1TDP1HDAC3HDAC4

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
US-20090123516-A1 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS-THERAPEUTIC SAMS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-05-14 US disclosed
WO-2007019478-A2 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS - THERAPEUTIC SAMS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-02-15 WO disclosed