SCHEMBL19442076

SCHEMBL19442076

COc1ccc(C(=O)OCC(Cl)(Cl)Cl)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35

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
SCHEMBL19441984 0.84 HDAC4 (0.48) HDAC4HDAC6HTTTSHRALDH1A1
SCHEMBL28817917 0.80 HDAC4 (0.57) HDAC4HDAC6HTTTSHRALDH1A1
SCHEMBL992096 0.79 MEN1 (0.63) HDAC4HDAC6TSHRALDH1A1TDP1
SCHEMBL28817945 0.78 ALDH1A1 (0.47) HDAC4HDAC6HTTTSHRALDH1A1
SCHEMBL19825337 0.78 TSHR (0.45) HDAC4HDAC6HTTTSHRALDH1A1
SCHEMBL19825409 0.76 TSHR (0.44) HDAC4HDAC6HTTTSHRALDH1A1
SCHEMBL19442031 0.76 HTT (0.40) HDAC4HDAC6HTTTSHRALDH1A1
SCHEMBL19442049 0.76 HTT (0.58) HTTTSHRALDH1A1KMT2AMEN1
SCHEMBL11985077 0.75 TSHR (0.50) TSHRALDH1A1TDP1PDE4DKMT2A
SCHEMBL19825336 0.75 TSHR (0.43) HDAC4HDAC6HTTTSHRALDH1A1

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-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 — — US disclosed
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