SCHEMBL19399129

SCHEMBL19399129

CCCCC1CCC1CN

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ DPP4 P27487 4/20 0.38
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NOS1 P29475 3/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ DNM1 Q05193 6/20 0.33
▸ EPHX1 P07099 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL19339159 0.90 CYP1A2 (0.50) CYP1A2DPP4LMNAMAPK1HTT
SCHEMBL21964710 0.90 CYP1A2 (0.44) CYP1A2DPP4LMNAMAPK1HTT
SCHEMBL19806839 0.85 DNM1 (0.48) CYP1A2DPP4LMNAMAPK1HTT
SCHEMBL24654652 0.83 — —
SCHEMBL28327491 0.81 CYP1A2 (0.44) CYP1A2DPP4LMNAMAPK1HTT
SCHEMBL10486372 0.80 EPHX1 (0.48) CYP1A2LMNANOS1NOS2EPHX1
SCHEMBL19249532 0.78 ALOX5 (0.42) CYP1A2NOS1NOS2DNM1EPHX1
SCHEMBL28598543 0.78 CYP1A2 (0.52) CYP1A2DPP4LMNAMAPK1HTT
SCHEMBL11662768 0.78 EPHX1 (0.52) CYP1A2DNM1EPHX1ALDH1A1TSHR
SCHEMBL11659426 0.78 EPHX1 (0.52) CYP1A2DNM1EPHX1ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3561064-A1 PROCESS AND SYSTEM FOR MICROBIAL FERMENTATION Sekab E-Technology AB (SE) 2019-10-30 — — EP disclosed
US-20180022641-A1 Transparent and Insulating Materials Having Evacuated Capsules Alliance for Energy Innovation, LLC 2018-01-25 — — US disclosed
US-9803222-B2 Processing biomass XYLECO, INC. (US) 2017-10-31 — — US disclosed
US-20170279025-A1 THERMOELECTRIC CONVERSION MATERIAL, METHOD OF MANUFACTURING THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION MODULE FURUKAWA CO., LTD. (JP) 2017-09-28 — — US disclosed
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