SCHEMBL8094022

SCHEMBL8094022

CCC(C)Cc1ccccc1C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 3/20 0.36
FOLH1 Q04609 2/20 0.35
CLCN2 P51788 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33
FFAR1 O14842 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL8094464 0.87 ALDH1A1 (0.38) ALDH1A1ALOX15KMT2AMEN1TSHR
SCHEMBL9724906 0.84 FOLH1 (0.49) ALDH1A1ALOX15KMT2AMEN1TSHR
SCHEMBL9724910 0.84 FOLH1 (0.49) ALDH1A1ALOX15KMT2AMEN1TSHR
SCHEMBL8094597 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15KMT2AMEN1TSHR
SCHEMBL8087714 0.84 GABRA1 (0.48) ALDH1A1ALOX15KMT2AMEN1TSHR
SCHEMBL8098416 0.83 ALDH1A1 (0.44) ALDH1A1TSHRFOLH1TP53LMNA
SCHEMBL8085912 0.83 KMT2A (0.39) ALDH1A1KMT2AMEN1TSHRFOLH1
SCHEMBL27700923 0.83 IRAK4 (0.45) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL8100828 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRFOLH1
SCHEMBL8878987 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRFOLH1

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-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed