SCHEMBL9660596

SCHEMBL9660596

CCOc1cc(OCC)c2cc(-c3ccccc3)ccc2c1OC(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TSHR P16473 1/20 0.38
LTB4R Q15722 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PGR P06401 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 1/20 0.37
ADORA1 P30542 2/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL9659470 0.92 HDAC1 (0.42) HDAC1HDAC8HDAC6SMN1; SMN2RXRA
SCHEMBL9659384 0.87 HDAC1 (0.41) HDAC1HDAC8HDAC6SMN1; SMN2RXRA
SCHEMBL9660579 0.86 ALDH1A1 (0.47) SMN1; SMN2ACHETSHRALDH1A1PGR
SCHEMBL9628306 0.83 HTT (0.47) HDAC1HDAC8HDAC6RXRARXRB
SCHEMBL9658045 0.81 MTNR1A (0.39) SMN1; SMN2TSHRALDH1A1PGRGAA
SCHEMBL9659356 0.81 HDAC1 (0.43) HDAC1HDAC8HDAC6RXRARXRB
SCHEMBL9660373 0.80 HSD17B10 (0.43) TSHRALDH1A1PGRGAAPTGS1
SCHEMBL9659170 0.80 HSD17B10 (0.43) SMN1; SMN2TSHRALDH1A1PGRGAA
SCHEMBL9657946 0.78 LMNA (0.40) SMN1; SMN2TSHRALDH1A1PGRGAA
SCHEMBL9657991 0.78 SLC2A1 (0.44) HDAC6THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed