SCHEMBL29953034

SCHEMBL29953034

CCOc1ccc(C(=O)O)cc1B(O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
POLB P06746 2/20 0.55
CASP6 P55212 1/20 0.55
LMNA P02545 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CREBBP Q92793 4/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL29882038 0.82 TSHR (0.83) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL177424 0.82 TSHR (0.83) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL130793 0.81 CA1 (0.67) TSHRLMNARAB9ACA12CA1
SCHEMBL29948203 0.81 CA1 (0.67) TSHRLMNARAB9ACA12CA1
SCHEMBL25284690 0.79 TSHR (0.68) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL5340855 0.79 TSHR (0.68) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL825367 0.79 TSHR (0.68) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL701512 0.79 TSHR (0.68) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL9426701 0.79 TSHR (0.78) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL21828892 0.79 TSHR (0.62) TSHRPOLBCASP6LMNAMRGPRX4

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