SCHEMBL28898288

SCHEMBL28898288

CCCCCCCCCC(C(=O)Cl)(C(=O)Cl)C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
FDPS P14324 10/20 0.47
SMPD1 P17405 2/20 0.47
CES2 O00748 1/20 0.47
GGPS1 O95749 6/20 0.45

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
SCHEMBL6134859 0.98 ALDH1A1 (0.46) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL628993 0.90 ALDH1A1 (0.46) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL7690546 0.81 ALDH1A1 (0.50) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL628235 0.79 TSHR (0.41) ALDH1A1TSHRFDPSCES2
SCHEMBL25078902 0.79 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL7684614 0.79 GGPS1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL7684047 0.79 GGPS1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL25303536 0.79 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL10830500 0.79 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL1410547 0.79 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2

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
CN-111686594-A High-flux high-retention composite membrane and preparation method thereof 天津工业大学 2020-09-22 CN disclosed