SCHEMBL16626151

SCHEMBL16626151

CCCCn1ccnc1-c1nc(C(=O)O)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ESR1 P03372 1/20 0.39
TLR8 Q9NR97 2/20 0.38
CYP3A4 P08684 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
PKM P14618 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10005373 0.72 ALDH1A1 (0.74) ALDH1A1KMT2APOLBESR1TLR8
Bicarbonate SCHEMBL22832272 0.70 ALDH1A1 (0.83) ALDH1A1KMT2APOLBTLR8KDM4E
Bicarbonate SCHEMBL22832269 0.70 ALDH1A1 (0.83) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL5082397 0.70 ALDH1A1 (0.56) ALDH1A1KMT2APOLBTLR8CYP3A4
SCHEMBL2936161 0.70 ALDH1A1 (0.69) ALDH1A1KMT2APOLBESR1TLR8
SCHEMBL2399585 0.69 ESR1 (0.60) ALDH1A1KMT2APOLBESR1TLR8
Acetic Acid SCHEMBL14164721 0.69 ALDH1A1 (0.80) ALDH1A1KMT2APOLBTLR8KDM4E
Hydrochloric Acid SCHEMBL7177948 0.68 ALDH1A1 (0.57) ALDH1A1KMT2APOLBESR1TLR8
Hydrochloric Acid SCHEMBL7178422 0.68 ALDH1A1 (0.57) ALDH1A1KMT2APOLBESR1TLR8
Hydrochloric Acid SCHEMBL7182544 0.68 ALDH1A1 (0.57) ALDH1A1KMT2APOLBESR1TLR8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935490-B1 ORGANOPOLYSILOXANE COMPOSITION SUITABLE FOR VULCANISATION INTO AN ELASTOMER AT ROOM TEMPERATURE AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS ELKEM SILICONES FRANCE SAS (FR) 2022-12-21 EP disclosed
EP-2935489-B1 ORGANOPOLYSILOXANE COMPOSITION SUITABLE FOR VULCANISATION INTO AN ELASTOMER AT ROOM TEMPERATURE AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS ELKEM SILICONES FRANCE SAS (FR) 2018-11-28 EP disclosed
EP-2935492-B1 ARTICLE WITH ANTIFOULING PROPERTIES, INTENDED FOR AQUATIC USES AND, IN PARTICULAR, FOR MARINE USES BLUESTAR SILICONES FRANCE (FR) 2016-10-26 EP disclosed
US-9006316-B2 Organometallic compositions and coating compositions KING INDUSTRIES, INC. (US) 2015-04-14 US disclosed