SCHEMBL3754589

SCHEMBL3754589

Nc1ccc(Oc2cccc(C(C(F)(F)F)C(F)(F)F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MITF O75030 1/20 0.59
GAA P10253 1/20 0.59
GFER P55789 1/20 0.59
NLRP1 Q9C000 1/20 0.59
NOD2 Q9HC29 1/20 0.59
MAOA P21397 2/20 0.48
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NLRP3 Q96P20 1/20 0.45
MAOB P27338 2/20 0.44
CETP P11597 1/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL3766666 0.89 MAOB (0.55) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7613780 0.84 MAOB (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1046405 0.83 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8364552 0.80 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6290330 0.76 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22289568 0.76 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6290623 0.76 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4092959 0.76 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1270594 0.76 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1271678 0.76 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-2183622-A1 LIGHT-SHIELDING FILM Nippon Shokubai Co., Ltd. (JP) 2010-05-12 EP disclosed
WO-2009014264-A1 LIGHT-SHIELDING FILM NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-29 WO disclosed
US-5710334-A PENDANT ETHER GROUPS, POLYIMIDES WITH IMPROVED SOLUBILITY, MELT FLOW STABILITY, PROCESSABILITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-01-20 US disclosed