SCHEMBL7301835

SCHEMBL7301835

O=C(O)C=CCC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
GABRR1 P24046 2/20 0.41
GABRR2 P28476 2/20 0.41
BLM P54132 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RARB P10826 1/20 0.37
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL29256546 1.00 TSHR (0.41) TSHRLMNAGABRR1GABRR2BLM
SCHEMBL7301833 1.00 TSHR (0.41) TSHRLMNAGABRR1GABRR2BLM
SCHEMBL26293756 0.98 HTT (0.42) TSHRLMNAGABRR1GABRR2BLM
SCHEMBL10455025 0.98 HTT (0.42) TSHRLMNAGABRR1GABRR2BLM
SCHEMBL27733052 0.95 TSHR (0.41) TSHRLMNAGABRR1GABRR2BLM
SCHEMBL3654341 0.91
SCHEMBL3654343 0.91
SCHEMBL9689980 0.80 ALOX5 (0.32) KMT2AALOX5
SCHEMBL9689986 0.80 ALOX5 (0.32) KMT2AALOX5
SCHEMBL29218708 0.79 GABRR1 (0.35) TSHRLMNAGABRR1GABRR2BLM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601731-B Synthesis of cyclopentenone 陶氏环球技术有限责任公司 2023-10-03 CN disclosed
CN-112638923-A Synthesis of substituted cyclopentadiene compounds and metallocenes 陶氏环球技术有限责任公司 2021-04-09 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed