SCHEMBL8321985

SCHEMBL8321985

COC(=O)c1[nH]c2c(C)ccc(C)c2c1S(=O)(=O)c1ccccc1

nearest known ligand 0.48

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
KDM4E B2RXH2 5/20 0.43
GAA P10253 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 2/20 0.43

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
SCHEMBL8320653 0.82 CYP1A2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8319411 0.77 LMNA (0.51) KDM4EGAAALDH1A1HPGDKMT2A
SCHEMBL5798554 0.76 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8318534 0.74 KDM4E (0.46) KDM4EGAAALDH1A1HPGDKMT2A
SCHEMBL8324480 0.74 NR4A2 (0.41) KDM4EGAAALDH1A1KMT2ALMNA
SCHEMBL8319734 0.74 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8325596 0.73 MAPT (0.47) KDM4EGAAALDH1A1HPGDKMT2A
SCHEMBL8325590 0.73 MAPT (0.47) KDM4EGAAALDH1A1HPGDKMT2A
SCHEMBL8322259 0.73 CYP1A2 (0.48) KDM4EGAAALDH1A1HPGDKMT2A
SCHEMBL8321417 0.73 CYP1A2 (0.38) KDM4EGAAALDH1A1KMT2ALMNA

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-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed