SCHEMBL11296987

SCHEMBL11296987

O=C(NC(Cc1ccccc1)C(=O)O)c1cc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 9/20 0.65
TAS1R3 Q7RTX0 2/20 0.58
TAS1R1 Q7RTX1 2/20 0.58
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
KLKB1 P03952 1/20 0.56
CAPN1 P07384 1/20 0.53
CTSB P07858 1/20 0.53
ICMT O60725 1/20 0.53
TACR2 P21452 2/20 0.52
BCL2L1 Q07817 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
SCHEMBL11950552 1.00 PIN1 (0.65) PIN1TAS1R3TAS1R1HDAC3HDAC4
SCHEMBL17991867 1.00 PIN1 (0.65) PIN1TAS1R3TAS1R1HDAC3HDAC4
SCHEMBL11949522 1.00 PIN1 (0.65) PIN1TAS1R3TAS1R1HDAC3HDAC4
SCHEMBL11952559 0.93 PIN1 (0.61) PIN1TAS1R3TAS1R1HDAC3HDAC4
SCHEMBL11952560 0.93 PIN1 (0.61) PIN1TAS1R3TAS1R1HDAC3HDAC4
SCHEMBL11294423 0.93 PIN1 (0.61) PIN1TAS1R3TAS1R1HDAC3HDAC4
SCHEMBL11296988 0.87 TLR3 (0.62) PIN1HDAC1
SCHEMBL11951259 0.87 PIN1 (0.60) PIN1HDAC1
SCHEMBL11951515 0.87 TLR3 (0.62) PIN1HDAC1
SCHEMBL17964392 0.87 PIN1 (0.60) PIN1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409880-B2 Modulators of TLR3/dsRNA complex and uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-08-09 US disclosed
EP-2665708-A2 MODULATORS OF TLR3/DSRNA COMPLEX AND USES THEREOF The Regents of the University of Colorado, A Body Corporate (US) 2013-11-27 EP disclosed
WO-2012099785-A2 MODULATORS OF TLR3/DSRNA COMPLEX AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-07-26 WO disclosed