SCHEMBL6822041

SCHEMBL6822041

O=c1ccc2c(o1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TSHR P16473 1/20 0.35
MAOA P21397 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKDC P78527 1/20 0.33

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
SCHEMBL31620329 0.64 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL72251 0.64
SCHEMBL17861313 0.62 MAOA (0.59) ALDH1A1LMNAKDM4EMEN1MAPT
SCHEMBL9123557 0.62 TSHR (0.38) TSHR
SCHEMBL20721261 0.62 TSHR (0.38) TSHR
SCHEMBL16320316 0.61 CDC25B (0.30) CDC25B
SCHEMBL13598105 0.61 MAOA (0.45) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL7998371 0.61 ALDH1A1 (0.42) ALDH1A1LMNATSHRMAOASMN1; SMN2
SCHEMBL10160746 0.60 TSHR (0.33) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL7358995 0.60 MAOA (0.44) ALDH1A1LMNAKDM4EMAPTKMT2A

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-2993520-B1 RESIST COMPOSITION AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2017-03-08 EP disclosed
US-6737439-B2 ACTIVE CANCER CHEMOPREVENTATIVE AND TREATING AGENTS IN MAMMALS, INCLUDING HUMANS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2004-05-18 US disclosed
WO-2003013554-A2 AROMATASE INHIBITORS FROM BROUSSONETIA PAPYRIFERA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-02-20 WO disclosed