SCHEMBL9538144

SCHEMBL9538144

O=C(CCl)CC1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ANPEP P15144 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL26246202 0.94 HPGD (0.42) HPGDHTTLMNASMN1; SMN2POLB
SCHEMBL9694657 0.93 ALDH1A1 (0.44) HPGDHTTLMNASMN1; SMN2POLB
SCHEMBL28364585 0.87 HPGD (0.49) HPGDHTTLMNASMN1; SMN2POLB
SCHEMBL23668701 0.81 HPGD (0.47) HPGDHTTLMNASMN1; SMN2POLB
SCHEMBL23691384 0.81 HPGD (0.47) HPGDHTTLMNASMN1; SMN2POLB
SCHEMBL23668692 0.81 HPGD (0.47) HPGDHTTLMNASMN1; SMN2POLB
SCHEMBL23668706 0.81 HPGD (0.47) HPGDHTTLMNASMN1; SMN2POLB
SCHEMBL22235702 0.80 HPGD (0.44) HPGDHTTLMNASMN1; SMN2POLB
SCHEMBL16359263 0.80 HPGD (0.44) HPGDHTTLMNASMN1; SMN2POLB
Methylene Chloride SCHEMBL7294170 0.80 ALDH1A1 (0.49) HPGDHTTLMNASMN1; SMN2POLB

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
EP-0540606-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP plc (GB) 1993-05-12 EP disclosed