SCHEMBL11614552

SCHEMBL11614552

O=C(O)CCCC1CC2C=CC1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
APEX1 P27695 2/20 0.36
TSHR P16473 2/20 0.36
PMP22 Q01453 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
THRB P10828 1/20 0.36
ACHE P22303 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL11611838 0.90 TDP1 (0.36) ALOX5TDP1LMNAHSD17B10POLB
SCHEMBL11602424 0.86 ALOX5 (0.46) ALOX5TDP1LMNATSHRALDH1A1
SCHEMBL24890559 0.85
SCHEMBL18874578 0.81 ALOX5 (0.45) ALOX5TDP1LMNAHSD17B10POLB
SCHEMBL5073030 0.81 ALOX5 (0.45) ALOX5TDP1LMNAHSD17B10POLB
SCHEMBL13346652 0.80 ALOX5 (0.47) ALOX5TDP1LMNAHSD17B10POLB
SCHEMBL13346656 0.80 ALOX5 (0.47) ALOX5TDP1LMNAHSD17B10POLB
SCHEMBL13346655 0.80 ALOX5 (0.47) ALOX5TDP1LMNAHSD17B10POLB
SCHEMBL13346657 0.80 ALOX5 (0.47) ALOX5TDP1LMNAHSD17B10POLB
Hydrochloric Acid SCHEMBL6830191 0.80 ALOX5 (0.44) ALOX5TDP1LMNAHSD17B10POLB

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-4100193-A MICROBIOCIDES, ALGAE INHIBITORS MERCK & CO., INC. (US) 1978-07-11 US disclosed