SCHEMBL8619807

SCHEMBL8619807

CC(C)Oc1ccc(C(C)(F)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
PTPN5 P54829 2/20 0.53
PARP10 Q53GL7 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.45
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A3 P47895 1/20 0.42
PTGES O14684 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17420448 0.84 KMT2A (0.55) KMT2APTPN5PARP10NR1H4ALDH1A1
SCHEMBL28302793 0.80 MAPT (0.50) ALDH1A1LMNAMAPK1
SCHEMBL16579071 0.79 KMT2A (0.53) KMT2APTPN5PARP10NR1H4ALDH1A1
SCHEMBL28846044 0.78 MAPT (0.41) KMT2AALDH1A1KDM4ELMNAMAPK1
SCHEMBL27608748 0.77 PDK1 (0.51) KMT2APARP10ALDH1A1POLBLMNA
SCHEMBL14175128 0.77 SMN1; SMN2 (0.36) KMT2ACYP3A4MEN1SMN1; SMN2
SCHEMBL30087591 0.76 PARP10 (0.56) KMT2APTPN5PARP10NR1H4ALDH1A1
SCHEMBL1819925 0.76 CXCR2 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3574727 0.76 CXCR2 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3582579 0.76 CXCR2 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2

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
WO-1998057910-A2 CYCLOOXYGENASE-I SELECTIVE INHIBITORS AND THE USE THEREOF AS ANALGESIC, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1998-12-23 WO disclosed