SCHEMBL9514865

SCHEMBL9514865

CC(C(=O)O)(c1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.55
TSHR P16473 2/20 0.50
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KMT2A Q03164 2/20 0.49

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
SCHEMBL927353 0.94 SRD5A2 (0.61) SRD5A2TSHRRXRARXRBRARB
SCHEMBL73063 0.87 HDAC3 (0.61) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28079333 0.85 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL3674757 0.85 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28079327 0.85 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28727492 0.85 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
Bromomethane SCHEMBL209562 0.85 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL27764653 0.85 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
Hydrogen Sulfide SCHEMBL27894390 0.85 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
Hydrogen Sulfide SCHEMBL28066375 0.85 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7

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
EP-0302516-B1 Optical article made of amorphous thermoplastic polyester resin MITSUBISHI RAYON CO (JP) 1993-12-15 EP disclosed
EP-0302516-A2 Optical article made of amorphous thermoplastic polyester resin MITSUBISHI RAYON CO., LTD. (JP) 1989-02-08 EP disclosed