SCHEMBL8425539

SCHEMBL8425539

O=C(OCSc1ccc(Oc2ccc(Cl)cc2)cc1)C1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.42
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S1PR5 Q9H228 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
MMP1 P03956 3/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP7 P09237 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
MMP14 P50281 2/20 0.37
ABCB11 O95342 1/20 0.37
MMP10 P09238 1/20 0.37
ADAM17 P78536 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 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
SCHEMBL8427523 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBMEN1
SCHEMBL8425288 0.88 ALDH1A1 (0.38) FKBP1AALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL8423588 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDPOLBMEN1
SCHEMBL11865348 0.72 HTT (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDPOLB
SCHEMBL8425464 0.71 S1PR5 (0.44) FKBP1AALDH1A1S1PR5HPGDMEN1
SCHEMBL8424066 0.71 HPGD (0.43) ALDH1A1SMN1; SMN2S1PR5HPGDMMP1
SCHEMBL2409029 0.69 MMP1 (0.50) FKBP1AALDH1A1SMN1; SMN2KDM4EMMP1
SCHEMBL7709916 0.68 TEAD1 (0.56) FKBP1AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL7302178 0.68 MMP1 (0.46) FKBP1AALDH1A1SMN1; SMN2POLBMMP1
SCHEMBL11540586 0.67 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2HPGDPOLBMEN1

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed