SCHEMBL27606541

SCHEMBL27606541

O=C(Nc1ccc(C(F)(F)F)cc1)C1CCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 4/20 0.66
▸ ENPP1 P22413 3/20 0.66
▸ ENPP2 Q13822 3/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.64
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ TSHR P16473 1/20 0.62
▸ PTPN1 P18031 1/20 0.60
▸ EPHX2 P34913 2/20 0.58
▸ MAPT P10636 1/20 0.56
▸ POLB P06746 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL31396398 0.93 ENPP3 (0.61) ENPP3ENPP1ENPP2RXFP1MEN1
SCHEMBL24529989 0.86 F10 (0.58) ENPP3ENPP1ENPP2RXFP1MEN1
Hydrochloric Acid SCHEMBL23245936 0.84 F10 (0.57) ENPP3ENPP1ENPP2RXFP1EPHX2
SCHEMBL12975226 0.83 GAA (0.72) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL23246064 0.82 RHOC (0.60) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL10242579 0.81 KMT2A (0.69) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL13167580 0.80 ENPP3 (0.70) ENPP3ENPP1ENPP2PTPN1EPHX2
SCHEMBL125695 0.80 PTPN1 (0.89) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL28656982 0.80 PTPN1 (0.89) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL14424169 0.79 NPY5R (0.56) ENPP3ENPP1ENPP2RXFP1MEN1

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
CN-1525954-A Novel compounds useful as anti-inflammatory, immunomodulatory and antiproliferative agents 4SC�ɷݹ�˾ 2004-09-01 — — CN disclosed
Send feedback