SCHEMBL9499720

SCHEMBL9499720

O=Cc1ccc(OC2=C(Oc3ccc(C=O)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2A6 P11509 2/20 0.45
PARP10 Q53GL7 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44
DRD1 P21728 1/20 0.42
ALDH1A3 P47895 1/20 0.41
STS P08842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
HPGD P15428 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
SCHEMBL9499679 0.81
SCHEMBL5050902 0.76 PARP10 (0.65) ALDH1A1KDM4ELMNASMN1; SMN2CYP2A6
SCHEMBL1663469 0.76 PARP10 (0.65) ALDH1A1KDM4ELMNASMN1; SMN2CYP2A6
SCHEMBL9496291 0.75 HSPB1 (0.39) ALDH1A1KDM4ELMNAL3MBTL1KMT2A
SCHEMBL9498019 0.74 TEAD4 (0.45) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL9496376 0.74 CA1 (0.48) ALDH1A1KDM4EPARP10L3MBTL1KMT2A
SCHEMBL9497883 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2PARP10POLBKMT2A
SCHEMBL9500512 0.74 MAOA (0.45) ALDH1A1KDM4ELMNASMN1; SMN2CYP2A6
SCHEMBL9498280 0.74 MAPT (0.45) ALDH1A1LMNACYP2A6KMT2AMAPT
SCHEMBL9364922 0.73 LTA4H (0.50) KDM4EPARP10KMT2AMAPT

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
EP-0343441-B1 FLUORINATED BIS-ARYLOXY-SUBSTITUTED ALKENES, METHOD FOR THEIR PRODUCTION AN THEIR APPLICATION BAYER AG (DE) 1993-03-24 EP disclosed
US-4990633-A Used as insulating agents BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0343441-A2 Fluorinated bis-aryloxy-substituted alkenes, method for their production an their application BAYER AG (DE) 1989-11-29 EP disclosed