SCHEMBL4946587

SCHEMBL4946587

CC(Oc1ccc(C(=O)O)cc1)C1CO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAPK1 P28482 1/20 0.44
SRD5A2 P31213 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP10 Q53GL7 2/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RARB P10826 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL11967027 0.87 SMN1; SMN2 (0.51) KMT2AALDH1A1LMNAPARP10SMN1; SMN2
SCHEMBL10903305 0.81 KMT2A (0.35) KMT2ALMNAPARP10SMN1; SMN2NPSR1
SCHEMBL4243856 0.79 CHRNB4 (0.49) TDP1TSHR
SCHEMBL507936 0.77 KMT2A (0.64) KMT2ACA1CA2MAPK1SRD5A2
SCHEMBL29159366 0.77 KMT2A (0.46) KMT2ACA1CA2MAPK1SRD5A2
SCHEMBL503642 0.75 KMT2A (1.00) KMT2ACA1CA2MAPK1SRD5A2
SCHEMBL150038 0.75 KMT2A (0.77) KMT2ACA1CA2MAPK1SRD5A2
SCHEMBL12608577 0.74 HIF1A (0.36) KMT2AALDH1A1LMNAPARP10HSD17B10
SCHEMBL10867743 0.73 KMT2A (0.74) KMT2ACA1CA2MAPK1SRD5A2
SCHEMBL79929 0.73 KMT2A (0.74) KMT2ACA1CA2MAPK1SRD5A2

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-7413782-B2 Polymerizing binaphthalene derivatives CHISSO CORPORATION (JP) 2008-08-19 US disclosed
US-20050179005-A1 Polymerizing binaphthalene derivatives JNC PETROCHEMICAL CORPORATION (JP) 2005-08-18 US disclosed