SCHEMBL10697007

SCHEMBL10697007

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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 0.87 MAPT (0.34) RARARARBRARGMAPTALDH1A1
SCHEMBL10695615 0.86 MAPT (0.40) RARARARBRARGMAPTALDH1A1
SCHEMBL10696935 0.86 MAPT (0.34) RARARARBRARGMAPTALDH1A1
SCHEMBL10695963 0.82 ALDH1A1 (0.41) RARARARBMAPTALDH1A1
SCHEMBL10520108 0.80 ALDH1A1 (0.35) RARARARBRARGMAPTALDH1A1
SCHEMBL10697804 0.78 MAPT (0.34) MAPTALDH1A1KDM4E
SCHEMBL7269375 0.78 PDE4A (0.42) MAPTKDM4E
SCHEMBL10695563 0.78 CA9 (0.36) MAPTALDH1A1TSHR
SCHEMBL7293261 0.75 CCNC (0.33) MAPTALDH1A1KDM4E
SCHEMBL9559406 0.74 KDM4E (0.34) ALDH1A1KDM4E

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