SCHEMBL29776124

SCHEMBL29776124

CC1=Cc2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
PARP1 P09874 1/20 0.36
PTAFR P25105 1/20 0.36
IKBKB O14920 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
TACR1 P25103 5/20 0.32
P2RX1 P51575 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL27171019 0.88 HTR1A (0.43) HTR1AHTR7PARP1PTAFR
SCHEMBL14142022 0.87 PTAFR (0.36) HTR1AHTR7PTAFRRXRARXRB
SCHEMBL27970546 0.80 HTR1A (0.42) HTR1AHTR7
SCHEMBL20165781 0.80 BRD9 (0.35) HTR1AMEN1KMT2A
SCHEMBL27171029 0.79 HTR1A (0.39) HTR1AHTR7
SCHEMBL6031697 0.78 HTR1A (0.47) HTR1AHTR7PARP1PTAFRRXRA
SCHEMBL29776143 0.78 HTR1A (0.47) HTR1AHTR7PARP1PTAFRRXRA
SCHEMBL3154256 0.76 PDCD1 (0.38) HTR1AHTR7HPGD
SCHEMBL27500689 0.76 KDR (0.38) PTAFRMEN1KMT2APOLBSMN1; SMN2
SCHEMBL30065602 0.76 PTAFR (0.39) PARP1PTAFRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271718-A1 POLYOLEFIN-BASED IONOMERS AND PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-11-08 EP disclosed
WO-2022146634-A1 POLYOLEFIN-BASED IONOMERS AND PRODUCTION THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-07-07 WO disclosed