SCHEMBL9694657

SCHEMBL9694657

O=C(CCl)CC1CCCO1.O=C(O)CC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 4/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9538144 0.93 HPGD (0.44) ALDH1A1HPGDHTTLMNAPOLB
Methylene Chloride SCHEMBL7294170 0.89 ALDH1A1 (0.49) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL26246202 0.87 HPGD (0.42) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL1698442 0.87
SCHEMBL1698570 0.87
SCHEMBL321670 0.87
Hydrochloric Acid SCHEMBL3538913 0.85 ALDH1A1 (0.51) ALDH1A1HPGDHTTLMNAPOLB
Water SCHEMBL28237304 0.85 ALDH1A1 (0.51) ALDH1A1HPGDHTTLMNAPOLB
Chloroform SCHEMBL963008 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHTTLMNAPOLB
Methyl Alcohol SCHEMBL28090165 0.82 ALDH1A1 (0.49) ALDH1A1HPGDHTTLMNAPOLB

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
WO-1992001695-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1992-02-06 WO disclosed