SCHEMBL9499643

SCHEMBL9499643

C=C(C)c1ccc(OC2=C(Oc3ccc(C(=C)C)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 2/20 0.33
FURIN P09958 1/20 0.33
MMP13 P45452 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.31
PARP10 Q53GL7 2/20 0.31
KMT2A Q03164 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP16 Q8N5Y8 1/20 0.31
PARP11 Q9NR21 1/20 0.31
PARP4 Q9UKK3 1/20 0.31
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31

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
SCHEMBL9498019 0.79 TEAD4 (0.45) HPGDMAPTRAB9AMMP13SMN1; SMN2
SCHEMBL5820050 0.78 HPGD (0.58) HPGDMAPTRAB9AFURINMMP13
SCHEMBL9495514 0.76 SRD5A2 (0.55) HPGDTSHRHTTPARP10KMT2A
SCHEMBL9500742 0.76 CA1 (0.55) MAPTRAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9496376 0.75 CA1 (0.48) MAPTRAB9AALDH1A1PARP10KMT2A
SCHEMBL9775359 0.73 SRD5A2 (0.40) HPGDSMN1; SMN2ALDH1A1HTTPARP10
SCHEMBL9496291 0.72 HSPB1 (0.39) MAPTALDH1A1HTTKMT2A
SCHEMBL9496161 0.71 KMT2A (0.54) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL19402993 0.71 PARP10 (0.53) HPGDMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9498280 0.71 MAPT (0.45) MAPTRAB9AALDH1A1TSHRHTT

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