SCHEMBL9778203

SCHEMBL9778203

C=CCCCCNC(=O)c1ccc(C(=O)NCCCCC=C)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL1997700 0.80 HTT (0.56) ALOX5CYP1A2HTTTSHRALDH1A1
SCHEMBL6075636 0.80 HTT (0.57) ALOX5ALOX15CYP1A2HTTTSHR
SCHEMBL9778175 0.79 HPGD (0.55) ALOX15CYP1A2ALDH1A1L3MBTL1POLB
SCHEMBL6751131 0.78 ALOX5 (0.49) ALOX5CYP1A2HTTTSHRNLRP3
SCHEMBL822462 0.78 NAAA (0.59) ALOX5ALOX15HTTTSHRALDH1A1
SCHEMBL54245 0.78 NAAA (0.59) ALOX5ALOX15HTTTSHRALDH1A1
SCHEMBL17361219 0.78 NAAA (0.59) ALOX5ALOX15HTTTSHRALDH1A1
SCHEMBL5056873 0.78 NAAA (0.59) ALOX5ALOX15HTTTSHRALDH1A1
SCHEMBL6075731 0.78 HTT (0.64) ALOX5ALOX15CYP1A2HTTTSHR
SCHEMBL30875601 0.75 TSHR (0.51) ALOX5ALOX15HTTTSHRALDH1A1

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
US-5009934-A Process for preparing poly-(imidesiloxanes) WACKER-CHEMIE GMBH (DE) 1991-04-23 US disclosed