SCHEMBL9119246

SCHEMBL9119246

CC(=O)Oc1c[nH]c2cc(F)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.62
TDO2 P48775 9/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
AMY1A P0DUB6 1/20 0.46
KDM4E B2RXH2 1/20 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
SCHEMBL6512767 0.88 SLC22A6 (0.62) SLC22A6GPR84KDM4EIDO1HTR2A
SCHEMBL27920538 0.83 SLC22A6 (0.64) SLC22A6KDM4EIDO1HTR2AMTNR1A
SCHEMBL5530414 0.81 SLC22A6 (0.62) SLC22A6IDO1MTNR1AMTNR1B
SCHEMBL1614860 0.81 SLC22A6 (0.62) SLC22A6GPR84AMY1AIDO1HTR2A
SCHEMBL8581148 0.80 SLC22A6 (0.60) SLC22A6TUBB1KDM4EHTR2AMTNR1A
SCHEMBL8914633 0.79 SLC22A6 (0.59) SLC22A6KDM4E
SCHEMBL14527873 0.78 GPR84 (0.53) TDO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30712069 0.78 SLC22A6 (0.46) SLC22A6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20771361 0.78 NPC1 (0.58) SLC22A6GPR84KDM4E
SCHEMBL27920537 0.78 SLC22A6 (0.57) SLC22A6KDM4EIDO1

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-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed