SCHEMBL29954785

SCHEMBL29954785

Cc1c(C=O)cccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
ELANE P08246 1/20 0.40
CTRB1 P17538 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
METAP1 P53582 1/20 0.40
P2RX7 Q99572 1/20 0.39
NLRP3 Q96P20 1/20 0.39
LCK P06239 2/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
BRD4 O60885 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL5785123 0.86 LMNA (0.46) RXFP1BRD9ELANELMNAPOLB
SCHEMBL29509673 0.86 LMNA (0.46) RXFP1BRD9ELANELMNAPOLB
SCHEMBL31166817 0.84 RXFP1 (0.44) RXFP1BRD9ELANELMNAPOLB
SCHEMBL17846995 0.83 BRD9 (0.41) RXFP1ALDH1A1BRD9ELANECTRB1
SCHEMBL17846993 0.83 BRD9 (0.41) RXFP1ALDH1A1BRD9ELANECTRB1
SCHEMBL17432439 0.83 RXFP1 (0.40) RXFP1ALDH1A1BRD9ELANECTRB1
SCHEMBL26507039 0.81 RXFP1 (0.39) RXFP1BRD9LMNAPOLBMETAP1
SCHEMBL21439216 0.81 RXFP1 (0.43) RXFP1ALDH1A1BRD9ELANECTRB1
SCHEMBL5866194 0.80 HSP90AA1 (0.46) RXFP1ALDH1A1BRD9ELANECTRB1
SCHEMBL29957958 0.79 LCK (0.49) ALDH1A1NLRP3LCKCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed