SCHEMBL29953625

SCHEMBL29953625

OB(O)c1cccc(CSC2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
ENPP2 Q13822 7/20 0.50
QRFPR Q96P65 2/20 0.46
KMT2A Q03164 1/20 0.44
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 2/20 0.36
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
PSMB5 P28074 1/20 0.33

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
SCHEMBL29950900 0.87 ENPP2 (0.46) EPHX1ENPP2QRFPRLPLLIPG
SCHEMBL29955567 0.80 KMT2A (0.57) EPHX1ENPP2QRFPRKMT2ALPL
SCHEMBL16143066 0.76 KMT2A (0.47) QRFPRKMT2A
SCHEMBL13630883 0.74 QRFPR (0.48) EPHX1ENPP2QRFPRKMT2AALDH1A1
SCHEMBL611845 0.74 KMT2A (0.46) QRFPRKMT2A
SCHEMBL6209126 0.74 KMT2A (0.61) QRFPRKMT2AALDH1A1
SCHEMBL15270672 0.72 KMT2A (0.64) QRFPRKMT2AALDH1A1
SCHEMBL6057114 0.72 KMT2A (0.64) QRFPRKMT2AALDH1A1
SCHEMBL20606159 0.72 ALDH1A1 (0.56) EPHX1ENPP2LPLLIPGKDM4E
SCHEMBL3840859 0.72 KMT2A (0.44) EPHX1QRFPRKMT2A

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