SCHEMBL9004912

SCHEMBL9004912

CC#CCCCCCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.64
PTGS1 P23219 5/20 0.64
ALOX5 P09917 4/20 0.64
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
F2R P25116 3/20 0.38
VCAM1 P19320 1/20 0.38
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7704620 0.84 PTGS2 (0.89) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9420125 0.84 PTGS2 (0.89) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7696046 0.83 PTGS2 (0.91) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7348363 0.81 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7352493 0.81 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL23293040 0.81 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL25760152 0.81 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL13840643 0.81 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7356996 0.81 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL27783447 0.81 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508275-A CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5318987-A Used for prophylaxis and treats coronary, circulatory and vascular diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed