SCHEMBL9682934

SCHEMBL9682934

CCCOc1cc(OC)[c]c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
LTA4H P09960 1/20 0.37
ERN1 O75460 1/20 0.37
KMT2A Q03164 2/20 0.36
MGAM O43451 4/20 0.35
GAA P10253 4/20 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
SCHEMBL9317421 0.94 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1637765 0.88 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4277111 0.87 LTA4H (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27471058 0.83 ALDH1A1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1637687 0.83 NQO1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12963416 0.78 ALDH1A1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13918745 0.78 ALDH1A1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8629428 0.77 ESR1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL91974 0.77 LTA4H (0.48) LTA4HKMT2ACA12CA1CA2
SCHEMBL12963218 0.75 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-5091506-A POLYMERIZATION OF CARBON MONOXIDE/NORBORNENE WITH P BIDENTATE LIGAND SHELL OIL COMPNAY (US) 1992-02-25 US disclosed