SCHEMBL10696935

SCHEMBL10696935

CC1(C)C=C(n2ccc(O)cc2=O)c2cc(C(N)=O)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
PARP1 P09874 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL10697122 0.90 MAPT (0.34) MAPTKDM4EALDH1A1RARARARB
SCHEMBL10695615 0.87 MAPT (0.40) MAPTKDM4EALDH1A1SMN1; SMN2RARA
SCHEMBL10697007 0.86 RARA (0.38) MAPTKDM4EALDH1A1SMN1; SMN2RARA
SCHEMBL7277331 0.85 F10 (0.40) KDM4EALDH1A1SMN1; SMN2RARARARB
SCHEMBL10695963 0.84 ALDH1A1 (0.41) MAPTALDH1A1RARARARB
SCHEMBL10697804 0.81 MAPT (0.34) MAPTKDM4EALDH1A1
SCHEMBL7269375 0.81 PDE4A (0.42) MAPTKDM4E
SCHEMBL10695563 0.80 CA9 (0.36) MAPTALDH1A1TSHR
SCHEMBL8084362 0.79 KDM4E (0.34) MAPTKDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL7293261 0.77 CCNC (0.33) MAPTKDM4EALDH1A1

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
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed