SCHEMBL7123434

SCHEMBL7123434

CCCC(=O)O[C@H]1CCc2cc(OC)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
MTNR1B P49286 6/20 0.48
NQO2 P16083 4/20 0.48
MTNR1A P48039 4/20 0.48
SLC6A9 P48067 1/20 0.47
PPARD Q03181 2/20 0.46

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
SCHEMBL5726773 0.93 MTNR1B (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6292654 0.85 PPARD (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27607299 0.84 ESR1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2740691 0.80 PPARD (0.44) MTNR1BNQO2MTNR1ASLC6A9PPARD
SCHEMBL2740671 0.80 PPARD (0.44) MTNR1BNQO2MTNR1ASLC6A9PPARD
SCHEMBL6918438 0.80 PPARD (0.44) MTNR1BNQO2MTNR1ASLC6A9PPARD
SCHEMBL27332720 0.80 ALDH1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6918461 0.79 HSD17B2 (0.46) MTNR1BNQO2MTNR1ASLC6A9PPARD
SCHEMBL5727621 0.77 MAPT (0.59)
SCHEMBL15082056 0.76 ESR1 (0.46) MTNR1BMTNR1ASLC6A9PPARDSRD5A1

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-2004011446-A1 INDANE, DIHYDROBENZOFURAN, AND TETRAHYDRONAPHTHALENE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2004-02-05 WO disclosed