SCHEMBL6155536

SCHEMBL6155536

CCOc1cc(C=Cc2cccc(CCCCCC(O)C(C)C)c2)c(OC)c(OCC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
TUBB1 Q9H4B7 4/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NFE2L2 Q16236 3/20 0.33

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
SCHEMBL6156398 0.99 CYP19A1 (0.36) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL6156369 0.87 TUBB1 (0.38) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL6158593 0.87 TUBB1 (0.38) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL6156088 0.85 CYP19A1 (0.36) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL6155178 0.83 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6154978 0.83 CYP19A1 (0.38) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL6158412 0.83 PPARA (0.38) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL6887502 0.83 HDAC1 (0.41) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6156490 0.82 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6154629 0.82 TUBB1 (0.37) CYP19A1TUBB1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-221222999-U Heptane heating device for PVC mixed dewatering device 金川集团股份有限公司 2024-06-25 CN disclosed
CN-117225224-A Heptane heating process for mixer preheater of PVC mixed dewatering device 金川集团股份有限公司 2023-12-15 CN disclosed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed