SCHEMBL15046242

SCHEMBL15046242

CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C(C)(C)c4ccccc4N6c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C4(C)C)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.35
▸ PDK2 Q15119 9/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP2 O95551 1/20 0.30
▸ ITGB2 P05107 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ ITGAL P20701 1/20 0.30

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
SCHEMBL15046325 1.00 PGR (0.35) PGRPDK2ALDH1A1TDP2ITGB2
SCHEMBL15019833 0.92 PGR (0.36) PGRPDK2ALDH1A1TDP2
SCHEMBL19042757 0.91 PDK2 (0.39) PGRPDK2
SCHEMBL16900616 0.91 PGR (0.40) PGRPDK2ALDH1A1
SCHEMBL19368063 0.91 PGR (0.36) PGRPDK2
SCHEMBL16900626 0.91 PGR (0.42) PGRPDK2ALDH1A1ITGB2ICAM1
SCHEMBL19381067 0.91 PDK2 (0.37) PGRPDK2ALDH1A1TDP2
SCHEMBL16900610 0.90 PGR (0.39) PGRPDK2ALDH1A1
SCHEMBL15046328 0.89 PGR (0.33) PGRPDK2
SCHEMBL16900617 0.89 PGR (0.39) PGRPDK2ALDH1A1

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
WO-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 — — WO disclosed
Send feedback